N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide

C24H28N2O3 — CID 131938609

IUPACN-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)c(NC(=O)CCCC(=O)c2ccccc2)c1
InChIInChI=1S/C24H28N2O3/c1-17-14-15-20(26-24(29)19-10-5-6-11-19)21(16-17)25-23(28)13-7-12-22(27)18-8-3-2-4-9-18/h2-4,8-9,14-16,19H,5-7,10-13H2,1H3,(H,25,28)(H,26,29)
InChIKeyIUFAKLHBKMHIEL-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.12
Rot. Bonds8

About N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide

N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide (PubChem CID 131938609) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide
PubChem CID131938609
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)c(NC(=O)CCCC(=O)c2ccccc2)c1
InChIInChI=1S/C24H28N2O3/c1-17-14-15-20(26-24(29)19-10-5-6-11-19)21(16-17)25-23(28)13-7-12-22(27)18-8-3-2-4-9-18/h2-4,8-9,14-16,19H,5-7,10-13H2,1H3,(H,25,28)(H,26,29)
InChIKeyIUFAKLHBKMHIEL-UHFFFAOYSA-N
XLogP5.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-methyl-2-(pentanoylamino)phenyl]oxolane-2-carboxamide
CID 17362633
N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide
CID 108745056
N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide
CID 39192948
N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide
CID 131940308
4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide
CID 131902266
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide
CID 131911003
N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide
CID 131897893
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide
CID 131946892
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide (CID 131938609) is N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide is Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)CCCC(=O)c2ccccc2)c1.
What is the InChIKey of N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide?
The InChIKey is IUFAKLHBKMHIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17-14-15-20(26-24(29)19-10-5-6-11-19)21(16-17)25-23(28)13-7-12-22(27)18-8-3-2-4-9-18/h2-4,8-9,14-16,19H,5-7,10-13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide?
N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide has a molecular weight of 392.50 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 131938609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).