1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C17H22N2O3 — CID 42917812

IUPAC1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C17H22N2O3/c1-18(10-12-3-7-15(22-2)8-4-12)17(21)13-9-16(20)19(11-13)14-5-6-14/h3-4,7-8,13-14H,5-6,9-11H2,1-2H3
InChIKeyXTNNFQRWUNFASL-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.66
Rot. Bonds5

About 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 42917812) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID42917812
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C17H22N2O3/c1-18(10-12-3-7-15(22-2)8-4-12)17(21)13-9-16(20)19(11-13)14-5-6-14/h3-4,7-8,13-14H,5-6,9-11H2,1-2H3
InChIKeyXTNNFQRWUNFASL-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-methyl-N-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46654933
(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 94181767
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
N-[(4-cyanophenyl)methyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 134004309
N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46110134
1-cyclopropyl-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70775095
1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 70728714
N-[(4-methoxyphenyl)methyl]-N,1-dimethylpiperidine-3-carboxamide
CID 132649734
(3S)-1-cyclopropyl-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97147806
1-cyclobutyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110687475
(3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95619377
(4R)-1-cyclopropyl-4-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94620798

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 42917812) is 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccc(CN(C)C(=O)C2CC(=O)N(C3CC3)C2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XTNNFQRWUNFASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-18(10-12-3-7-15(22-2)8-4-12)17(21)13-9-16(20)19(11-13)14-5-6-14/h3-4,7-8,13-14H,5-6,9-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42917812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).