1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide

C20H22N2O3 — CID 4714649

IUPAC1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC(C)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-14(15-6-4-3-5-7-15)21-20(24)16-12-19(23)22(13-16)17-8-10-18(25-2)11-9-17/h3-11,14,16H,12-13H2,1-2H3,(H,21,24)
InChIKeySBDJKVYUQKBPLW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.93
Rot. Bonds5

About 1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 4714649) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID4714649
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC(C)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-14(15-6-4-3-5-7-15)21-20(24)16-12-19(23)22(13-16)17-8-10-18(25-2)11-9-17/h3-11,14,16H,12-13H2,1-2H3,(H,21,24)
InChIKeySBDJKVYUQKBPLW-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
(3S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30805561
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide
CID 60589148
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9392169
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119529526
(3R)-1-(3-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 34656034
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
1-(4-methoxyphenyl)-N-(6-methylheptan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17309378
1-(3-methylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 45010553
methyl 2-[2-oxo-4-(1-phenylethylcarbamoyl)pyrrolidin-1-yl]benzoate
CID 113189141

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide (CID 4714649) is 1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NC(C)c3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is SBDJKVYUQKBPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(15-6-4-3-5-7-15)21-20(24)16-12-19(23)22(13-16)17-8-10-18(25-2)11-9-17/h3-11,14,16H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4714649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).