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CAS 1089-31-2 N,N’-DIBENZYLGLYCINAMIDE molecular structure lightbox
CAS RN: 1089-31-2

N,N’-DIBENZYLGLYCINAMIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 500mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1089-31-2
  • Purity/Analytical Methods: >99.0%
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1089-31-2 / N-benzyl-2-(benzylamino)acetamide

N,N'-Dibenzylglycinamide | N-benzyl-2-(benzylamino)acetamide | MFCD03788445

Standard CAS: 1089-31-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1089-31-2
Multi CAS
Yes
Molecular Formula
C16H18N2O
Molecular Weight
254.330000
Exact Mass
254.141913
SMILES
C1=CC=C(C=C1)CNCC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C16H18N2O/c19-16(18-12-15-9-5-2-6-10-15)13-17-11-14-7-3-1-4-8-14/h1-10,17H,11-13H2,(H,18,19)
InChIKey
WHPBAOBBWAFHRE-UHFFFAOYSA-N
Synonyms
N,N'-Dibenzylglycinamide N-benzyl-2-(benzylamino)acetamide MFCD03788445 CHEMBL5414824 N,N~2~-Dibenzylglycinamide

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.44
TPSA
41.13

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

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

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