N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide

C20H22N2O2 — CID 50757779

IUPACN-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCCCC(C(=O)Nc1ccc(C)cc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H22N2O2/c1-3-6-18(19(23)21-16-11-9-14(2)10-12-16)22-13-15-7-4-5-8-17(15)20(22)24/h4-5,7-12,18H,3,6,13H2,1-2H3,(H,21,23)
InChIKeyAHLBRDBFBSEPOY-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.76
Rot. Bonds5

About N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide

N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 50757779) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID50757779
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCCCC(C(=O)Nc1ccc(C)cc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H22N2O2/c1-3-6-18(19(23)21-16-11-9-14(2)10-12-16)22-13-15-7-4-5-8-17(15)20(22)24/h4-5,7-12,18H,3,6,13H2,1-2H3,(H,21,23)
InChIKeyAHLBRDBFBSEPOY-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide 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

(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92742007
(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92741995
(2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92721997
(2S)-N-(4-acetamidophenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688818
(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
(2S)-N-(4-bromophenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688824
N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905754
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688946
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 22524598
(2S)-N-(5-methyl-2-pyridinyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688754
(2R)-N-(2,4-dimethylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688551
N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906050

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide (CID 50757779) is N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide is CCCC(C(=O)Nc1ccc(C)cc1)N1Cc2ccccc2C1=O.
What is the InChIKey of N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is AHLBRDBFBSEPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-6-18(19(23)21-16-11-9-14(2)10-12-16)22-13-15-7-4-5-8-17(15)20(22)24/h4-5,7-12,18H,3,6,13H2,1-2H3,(H,21,23).
What are the key properties of N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 322.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 50757779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).