1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide

C17H24N2O2 — CID 17080743

IUPAC1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)NC(=O)C1CC(=O)N(c2ccccc2C)C1
InChIInChI=1S/C17H24N2O2/c1-4-14(5-2)18-17(21)13-10-16(20)19(11-13)15-9-7-6-8-12(15)3/h6-9,13-14H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyAFNTXRSMGTZFSC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.65
Rot. Bonds5

About 1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide

1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 17080743) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID17080743
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)NC(=O)C1CC(=O)N(c2ccccc2C)C1
InChIInChI=1S/C17H24N2O2/c1-4-14(5-2)18-17(21)13-10-16(20)19(11-13)15-9-7-6-8-12(15)3/h6-9,13-14H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyAFNTXRSMGTZFSC-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350964
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080682
(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9393495
N-(3-methylbutyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080735
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
N-(3-chloropropyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080703
(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350860
(3S)-1-(3-methoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9376616

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide (CID 17080743) is 1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)NC(=O)C1CC(=O)N(c2ccccc2C)C1.
What is the InChIKey of 1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is AFNTXRSMGTZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-14(5-2)18-17(21)13-10-16(20)19(11-13)15-9-7-6-8-12(15)3/h6-9,13-14H,4-5,10-11H2,1-3H3,(H,18,21).
What are the key properties of 1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide?
1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17080743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).