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CAS 1182923-38-1 2-AMino-N-ethyl-N-(4-Methoxy-benzyl)-acetaMide molecular structure lightbox
CAS RN: 1182923-38-1

2-AMino-N-ethyl-N-(4-Methoxy-benzyl)-acetaMide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1182923-38-1
  • Purity/Analytical Methods: >99.0%
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1182923-38-1 / 2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide

2-Amino-N-ethyl-N-(4-methoxybenzyl)acetamide | 2-Amino-N-ethyl-N-(4-methoxy-benzyl)-acetamide | 2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide

Standard CAS: 1182923-38-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1182923-38-1
Multi CAS
No
Molecular Formula
C12H18N2O2
Molecular Weight
222.280000
Exact Mass
222.136828
SMILES
CCN(CC1=CC=C(C=C1)OC)C(=O)CN
InChI
InChI=1S/C12H18N2O2/c1-3-14(12(15)8-13)9-10-4-6-11(16-2)7-5-10/h4-7H,3,8-9,13H2,1-2H3
InChIKey
PTTNUVLXPNIYIV-UHFFFAOYSA-N
Synonyms
2-Amino-N-ethyl-N-(4-methoxybenzyl)acetamide 2-Amino-N-ethyl-N-(4-methoxy-benzyl)-acetamide 2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide MFCD12809701 DB-227578

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.14
TPSA
55.56

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
0.6
Consensus LogP
0.83
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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