2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide

C30H27N3O3 — CID 1340046

IUPAC2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C30H27N3O3/c1-21-11-10-16-24(19-21)31-30(36)27(20-22-12-4-2-5-13-22)33-29(35)25-17-8-9-18-26(25)32-28(34)23-14-6-3-7-15-23/h2-19,27H,20H2,1H3,(H,31,36)(H,32,34)(H,33,35)/t27-/m0/s1
InChIKeySUFJWASUOGSKSQ-MHZLTWQESA-N
MW477.56 g/mol
LogP5.23
Rot. Bonds8

About 2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide

2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 1340046) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is 2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID1340046
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C30H27N3O3/c1-21-11-10-16-24(19-21)31-30(36)27(20-22-12-4-2-5-13-22)33-29(35)25-17-8-9-18-26(25)32-28(34)23-14-6-3-7-15-23/h2-19,27H,20H2,1H3,(H,31,36)(H,32,34)(H,33,35)/t27-/m0/s1
InChIKeySUFJWASUOGSKSQ-MHZLTWQESA-N
XLogP5.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-(4-hydroxyphenyl)-1-(3-methylanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112073
2-benzamido-N-[(2S)-1-(2-bromoanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 2173066
(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
CID 1366278
3-[(2-benzamido-3-phenylpropanoyl)amino]-N-hydroxybenzamide
CID 178016044
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522
2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 1149397
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
2-[[2-[(5-methyl-1H-indole-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 45482486
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 52636365
benzyl N-[(2S)-1-(3-acetylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 7613158

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 1340046) is 2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)c2ccccc2)c1.
What is the InChIKey of 2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is SUFJWASUOGSKSQ-MHZLTWQESA-N. The full InChI is InChI=1S/C30H27N3O3/c1-21-11-10-16-24(19-21)31-30(36)27(20-22-12-4-2-5-13-22)33-29(35)25-17-8-9-18-26(25)32-28(34)23-14-6-3-7-15-23/h2-19,27H,20H2,1H3,(H,31,36)(H,32,34)(H,33,35)/t27-/m0/s1.
What are the key properties of 2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 477.56 g/mol, XLogP of 5.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 1340046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).