(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide

C21H24N2O2 — CID 7033209

IUPAC(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c24-20-15-18(16-23(20)19-12-5-2-6-13-19)21(25)22-14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13,18H,7-8,11,14-16H2,(H,22,25)/t18-/m1/s1
InChIKeySZCPONQDZRCOJZ-GOSISDBHSA-N
MW336.44 g/mol
LogP3.18
Rot. Bonds7

About (3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide

(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide (PubChem CID 7033209) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
PubChem CID7033209
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c24-20-15-18(16-23(20)19-12-5-2-6-13-19)21(25)22-14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13,18H,7-8,11,14-16H2,(H,22,25)/t18-/m1/s1
InChIKeySZCPONQDZRCOJZ-GOSISDBHSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110627914
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
CID 18126445
N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110421652
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 2552039
(3S)-1-(3-fluorophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93017520
(3R)-1-(2,3-dichlorophenyl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 124750267
(3R)-5-oxo-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9350652
(3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7325487
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide (CID 7033209) is (3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide is O=C(NCCCCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide?
The InChIKey is SZCPONQDZRCOJZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20-15-18(16-23(20)19-12-5-2-6-13-19)21(25)22-14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13,18H,7-8,11,14-16H2,(H,22,25)/t18-/m1/s1.
What are the key properties of (3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide?
(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 7033209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).