N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide

C18H18N2O3 — CID 110421968

IUPACN-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC(=O)N2c2ccccc2)c1
InChIInChI=1S/C18H18N2O3/c1-23-15-9-5-6-13(12-15)19-18(22)16-10-11-17(21)20(16)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3,(H,19,22)
InChIKeyDJBMGRXRAANQME-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.83
Rot. Bonds4

About N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide

N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide (PubChem CID 110421968) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
PubChem CID110421968
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC(=O)N2c2ccccc2)c1
InChIInChI=1S/C18H18N2O3/c1-23-15-9-5-6-13(12-15)19-18(22)16-10-11-17(21)20(16)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3,(H,19,22)
InChIKeyDJBMGRXRAANQME-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374202
N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110427657
N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373964
N-(4-fluorophenyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110420365
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661
N-(3-bromo-5-methylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110614171
N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373835
N-(3-methoxyphenyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 71688552
phenyl 2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127519
phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 774408
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517
N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374182

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide (CID 110421968) is N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide is COc1cccc(NC(=O)C2CCC(=O)N2c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is DJBMGRXRAANQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-15-9-5-6-13(12-15)19-18(22)16-10-11-17(21)20(16)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3,(H,19,22).
What are the key properties of N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110421968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).