4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide

C30H26N2O4 — CID 40736580

IUPAC4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C30H26N2O4/c1-20(23-9-6-10-24(19-23)28(33)21-7-4-3-5-8-21)29(34)31-25-13-11-22(12-14-25)30(35)32-26-15-17-27(36-2)18-16-26/h3-20H,1-2H3,(H,31,34)(H,32,35)/t20-/m0/s1
InChIKeyNYWILXWKBCPEAX-FQEVSTJZSA-N
MW478.55 g/mol
LogP5.92
Rot. Bonds8

About 4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide

4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 40736580) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID40736580
Molecular FormulaC30H26N2O4
Molecular Weight478.55 g/mol
Exact Mass478.19
IUPAC Name4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C30H26N2O4/c1-20(23-9-6-10-24(19-23)28(33)21-7-4-3-5-8-21)29(34)31-25-13-11-22(12-14-25)30(35)32-26-15-17-27(36-2)18-16-26/h3-20H,1-2H3,(H,31,34)(H,32,35)/t20-/m0/s1
InChIKeyNYWILXWKBCPEAX-FQEVSTJZSA-N
XLogP5.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)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

(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
CID 1019404
(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
CID 837003
2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
CID 106590702
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide
CID 33145427
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
CID 126182220
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
4-[[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18903794
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302
N-[4-[2-(4-methoxyphenyl)sulfanylacetyl]phenyl]benzamide
CID 8673492
4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
4-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507626

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide (CID 40736580) is 4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is NYWILXWKBCPEAX-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H26N2O4/c1-20(23-9-6-10-24(19-23)28(33)21-7-4-3-5-8-21)29(34)31-25-13-11-22(12-14-25)30(35)32-26-15-17-27(36-2)18-16-26/h3-20H,1-2H3,(H,31,34)(H,32,35)/t20-/m0/s1.
What are the key properties of 4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide?
4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 478.55 g/mol, XLogP of 5.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 40736580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).