ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate

C20H22N2O4 — CID 2177719

IUPACethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
SMILESCCOC(=O)[C@H](CC)NC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-16(20(25)26-4-2)21-19(24)15-12-8-9-13-17(15)22-18(23)14-10-6-5-7-11-14/h5-13,16H,3-4H2,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1
InChIKeyOLSRAJHCFMRWCW-INIZCTEOSA-N
MW354.41 g/mol
LogP3.01
Rot. Bonds7

About ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate

ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate (PubChem CID 2177719) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
PubChem CID2177719
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
SMILESCCOC(=O)[C@H](CC)NC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-3-16(20(25)26-4-2)21-19(24)15-12-8-9-13-17(15)22-18(23)14-10-6-5-7-11-14/h5-13,16H,3-4H2,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1
InChIKeyOLSRAJHCFMRWCW-INIZCTEOSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate 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

2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide
CID 4069315
2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide
CID 4096684
2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 3436159
2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide
CID 3481613
2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596
2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 27442036
(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
CID 1366278
ethyl 2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 44591981
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
CID 2662915
ethyl 2-[[2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]benzoyl]amino]-3-phenylpropanoate
CID 101132825

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate?
The IUPAC name of ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate (CID 2177719) is ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate.
What is the SMILES notation for ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate?
The canonical SMILES for ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate is CCOC(=O)[C@H](CC)NC(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate?
The InChIKey is OLSRAJHCFMRWCW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-16(20(25)26-4-2)21-19(24)15-12-8-9-13-17(15)22-18(23)14-10-6-5-7-11-14/h5-13,16H,3-4H2,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1.
What are the key properties of ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate?
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate has a molecular weight of 354.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate is sourced from PubChem (CID 2177719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).