2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid

C21H25NO3 — CID 141080062

IUPAC2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid
SMILESCCCC(C(=O)O)c1cccc(C(=O)N(C)CCc2ccccc2)c1
InChIInChI=1S/C21H25NO3/c1-3-8-19(21(24)25)17-11-7-12-18(15-17)20(23)22(2)14-13-16-9-5-4-6-10-16/h4-7,9-12,15,19H,3,8,13-14H2,1-2H3,(H,24,25)
InChIKeyJICHPWWLJNYXNP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.97
Rot. Bonds8

About 2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid

2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid (PubChem CID 141080062) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid.

Molecular Properties

Compound Name2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid
PubChem CID141080062
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid
SMILESCCCC(C(=O)O)c1cccc(C(=O)N(C)CCc2ccccc2)c1
InChIInChI=1S/C21H25NO3/c1-3-8-19(21(24)25)17-11-7-12-18(15-17)20(23)22(2)14-13-16-9-5-4-6-10-16/h4-7,9-12,15,19H,3,8,13-14H2,1-2H3,(H,24,25)
InChIKeyJICHPWWLJNYXNP-UHFFFAOYSA-N
XLogP3.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid 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

3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
2-(3-methylphenyl)-4-phenylbutanoic acid
CID 79436887
2-(3-aminophenyl)pentanoic acid
CID 119088607
6-[methyl(2-phenylethyl)amino]-6-oxo-5-phenylhexanoic acid
CID 69405899
(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid
CID 125466001
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide
CID 104852356
2-(3-propylphenyl)butanoic acid
CID 116545486
2-(3-cyanophenyl)pentanoic acid
CID 83042428
4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
CID 62680430
3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide
CID 103826656

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid?
The IUPAC name of 2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid (CID 141080062) is 2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid.
What is the SMILES notation for 2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid?
The canonical SMILES for 2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid is CCCC(C(=O)O)c1cccc(C(=O)N(C)CCc2ccccc2)c1.
What is the InChIKey of 2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid?
The InChIKey is JICHPWWLJNYXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-3-8-19(21(24)25)17-11-7-12-18(15-17)20(23)22(2)14-13-16-9-5-4-6-10-16/h4-7,9-12,15,19H,3,8,13-14H2,1-2H3,(H,24,25).
What are the key properties of 2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid?
2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid has a molecular weight of 339.44 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid is sourced from PubChem (CID 141080062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).