1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C20H27N3O3 — CID 17081472

IUPAC1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C20H27N3O3/c1-13(2)21-20(26)16-9-5-6-10-17(16)22-19(25)14-11-18(24)23(12-14)15-7-3-4-8-15/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyNXSDLMOOEXYGEH-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.55
Rot. Bonds5

About 1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 17081472) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID17081472
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C20H27N3O3/c1-13(2)21-20(26)16-9-5-6-10-17(16)22-19(25)14-11-18(24)23(12-14)15-7-3-4-8-15/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyNXSDLMOOEXYGEH-UHFFFAOYSA-N
XLogP2.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 2856288
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120604507
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40976145
(3S)-1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 29449322
1-cyclohexyl-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17312324
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798
(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364707
1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120224
1-(3-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46436702
(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 51630288
1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2959439

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 17081472) is 1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CC(C)NC(=O)c1ccccc1NC(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is NXSDLMOOEXYGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13(2)21-20(26)16-9-5-6-10-17(16)22-19(25)14-11-18(24)23(12-14)15-7-3-4-8-15/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17081472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).