(3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C25H29N3O3 — CID 26084194

IUPAC(3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C25H29N3O3/c29-23-16-19(17-28(23)15-14-18-8-2-1-3-9-18)24(30)27-22-13-7-6-12-21(22)25(31)26-20-10-4-5-11-20/h1-3,6-9,12-13,19-20H,4-5,10-11,14-17H2,(H,26,31)(H,27,30)/t19-/m1/s1
InChIKeyXACUZPHICHRTDQ-LJQANCHMSA-N
MW419.53 g/mol
LogP3.39
Rot. Bonds7

About (3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

(3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 26084194) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is (3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID26084194
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name(3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C25H29N3O3/c29-23-16-19(17-28(23)15-14-18-8-2-1-3-9-18)24(30)27-22-13-7-6-12-21(22)25(31)26-20-10-4-5-11-20/h1-3,6-9,12-13,19-20H,4-5,10-11,14-17H2,(H,26,31)(H,27,30)/t19-/m1/s1
InChIKeyXACUZPHICHRTDQ-LJQANCHMSA-N
XLogP3.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41066253
N-[2-(2-methylpropylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46451207
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 992776
N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17204425
5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 42977398
(3S)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 7477639
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55660842
N-(2-benzylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4820474
N-cyclopentyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497409
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 992778
methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113185364

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 26084194) is (3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(NC1CCCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is XACUZPHICHRTDQ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-23-16-19(17-28(23)15-14-18-8-2-1-3-9-18)24(30)27-22-13-7-6-12-21(22)25(31)26-20-10-4-5-11-20/h1-3,6-9,12-13,19-20H,4-5,10-11,14-17H2,(H,26,31)(H,27,30)/t19-/m1/s1.
What are the key properties of (3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 26084194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).