5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C23H28N2O2 — CID 113186572

IUPAC5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1N1CC(C(=O)NCCCc2ccccc2)CC1=O
InChIInChI=1S/C23H28N2O2/c1-17(2)20-12-6-7-13-21(20)25-16-19(15-22(25)26)23(27)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,17,19H,8,11,14-16H2,1-2H3,(H,24,27)
InChIKeyCOBIHSIELJFSJL-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.91
Rot. Bonds7

About 5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide

5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113186572) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113186572
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccccc1N1CC(C(=O)NCCCc2ccccc2)CC1=O
InChIInChI=1S/C23H28N2O2/c1-17(2)20-12-6-7-13-21(20)25-16-19(15-22(25)26)23(27)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,17,19H,8,11,14-16H2,1-2H3,(H,24,27)
InChIKeyCOBIHSIELJFSJL-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.91
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

(3R)-1-(2,3-dichlorophenyl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 124750267
N-[(4-chlorophenyl)methyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186544
(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
CID 7033209
1-(2,5-dichlorophenyl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113191068
N-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186565
5-oxo-1-(1-phenylethyl)-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113183406
N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119548686
5-oxo-1-(2-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113186549
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 2552039
1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 17151811
N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110627914
1-(2-cyanophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113191742

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 113186572) is 5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccccc1N1CC(C(=O)NCCCc2ccccc2)CC1=O.
What is the InChIKey of 5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is COBIHSIELJFSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17(2)20-12-6-7-13-21(20)25-16-19(15-22(25)26)23(27)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,17,19H,8,11,14-16H2,1-2H3,(H,24,27).
What are the key properties of 5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3-phenylpropyl)-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113186572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).