2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene

C24H25NO3 — CID 143234395

IUPAC2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene
SMILESCCCC(=O)Nc1ccccc1C(=O)O.Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H12.C11H13NO3/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-2-5-10(13)12-9-7-4-3-6-8(9)11(14)15/h2-10H,1H3;3-4,6-7H,2,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyNMTLPURPVCQTPG-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.79
Rot. Bonds5

About 2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene

2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene (PubChem CID 143234395) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene.

Molecular Properties

Compound Name2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene
PubChem CID143234395
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene
SMILESCCCC(=O)Nc1ccccc1C(=O)O.Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H12.C11H13NO3/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-2-5-10(13)12-9-7-4-3-6-8(9)11(14)15/h2-10H,1H3;3-4,6-7H,2,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyNMTLPURPVCQTPG-UHFFFAOYSA-N
XLogP5.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene 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-[3-[4-(3-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11710202
2-[[2-(3-methylanilino)acetyl]amino]benzoic acid
CID 10589114
2-(hexacosanoylamino)benzoic acid
CID 123304158
2-(butanoylamino)-N-phenylbenzamide
CID 676008
5-phenyl-2-(propanoylamino)benzoic acid
CID 155717934
2-[3-(diethylamino)propanoylamino]benzoic acid
CID 559444
2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid
CID 143234447
N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide
CID 170112868
N-[2-[3,5-bis[2-(butanoylamino)phenyl]phenyl]phenyl]butanamide
CID 102081724
N-(2-acetylphenyl)-3-(3-methylphenyl)propanamide
CID 60700220
2-(octadec-9-enoylamino)benzoic acid
CID 54292093
2-[3-(4-naphthalen-2-ylphenyl)propanoylamino]benzoic acid
CID 11552978

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene?
The IUPAC name of 2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene (CID 143234395) is 2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene.
What is the SMILES notation for 2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene?
The canonical SMILES for 2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene is CCCC(=O)Nc1ccccc1C(=O)O.Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene?
The InChIKey is NMTLPURPVCQTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C11H13NO3/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-2-5-10(13)12-9-7-4-3-6-8(9)11(14)15/h2-10H,1H3;3-4,6-7H,2,5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene?
2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene has a molecular weight of 375.47 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene is sourced from PubChem (CID 143234395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).