2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide

C20H25N3O4 — CID 170337629

IUPAC2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2CNC(=O)CN)cc1OC
InChIInChI=1S/C20H25N3O4/c1-13(14-8-9-17(26-2)18(10-14)27-3)23-20(25)16-7-5-4-6-15(16)12-22-19(24)11-21/h4-10,13H,11-12,21H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyCJLHDJCPLGDEAY-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.77
Rot. Bonds8

About 2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide

2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 170337629) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID170337629
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2CNC(=O)CN)cc1OC
InChIInChI=1S/C20H25N3O4/c1-13(14-8-9-17(26-2)18(10-14)27-3)23-20(25)16-7-5-4-6-15(16)12-22-19(24)11-21/h4-10,13H,11-12,21H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyCJLHDJCPLGDEAY-UHFFFAOYSA-N
XLogP1.77
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[2-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoyl]phenyl]methylamino]-2-oxoethyl]carbamate
CID 170337687
(E)-4-[[2-[[2-[1-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]methylamino]-2-oxoethyl]amino]-4-oxobut-2-enoic acid
CID 170337744
2-(3-aminopropyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide;N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-hydroxypropyl)benzamide
CID 170337755
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[3-(prop-2-enoylamino)propyl]benzamide
CID 170337679
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959968
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 170337629) is 2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(C(C)NC(=O)c2ccccc2CNC(=O)CN)cc1OC.
What is the InChIKey of 2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is CJLHDJCPLGDEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(14-8-9-17(26-2)18(10-14)27-3)23-20(25)16-7-5-4-6-15(16)12-22-19(24)11-21/h4-10,13H,11-12,21H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide?
2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 170337629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).