N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide

C20H24N2O2 — CID 134019127

IUPACN-(3-acetamido-2-methylphenyl)-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1cccc(NC(C)=O)c1C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-4-9-17(16-10-6-5-7-11-16)20(24)22-19-13-8-12-18(14(19)2)21-15(3)23/h5-8,10-13,17H,4,9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyBVLJYWHQXQKRSA-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.48
Rot. Bonds6

About N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide

N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide (PubChem CID 134019127) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-phenylpentanamide
PubChem CID134019127
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1cccc(NC(C)=O)c1C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-4-9-17(16-10-6-5-7-11-16)20(24)22-19-13-8-12-18(14(19)2)21-15(3)23/h5-8,10-13,17H,4,9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyBVLJYWHQXQKRSA-UHFFFAOYSA-N
XLogP4.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylphenyl)-2-phenylpentanamide
CID 78775166
N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
CID 2547216
methyl 4-methyl-3-[[(2S)-2-phenylpentanoyl]amino]benzoate
CID 7920421
(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
CID 9071410
(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide
CID 9440741
3-[[(2R)-2-phenylpentanoyl]amino]benzamide
CID 41260026
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
N-(5-chloro-2-methoxyphenyl)-2-phenylpentanamide
CID 18169494
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
N-[4-[acetyl(methyl)amino]phenyl]-2-phenylpentanamide
CID 86857745
2-(3-acetamido-2-methylphenyl)acetic acid
CID 84819235

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide (CID 134019127) is N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide is CCCC(C(=O)Nc1cccc(NC(C)=O)c1C)c1ccccc1.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide?
The InChIKey is BVLJYWHQXQKRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-9-17(16-10-6-5-7-11-16)20(24)22-19-13-8-12-18(14(19)2)21-15(3)23/h5-8,10-13,17H,4,9H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide?
N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide has a molecular weight of 324.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide is sourced from PubChem (CID 134019127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).