1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide

C13H16N2O3 — CID 140665359

IUPAC1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CCC(C(N)=O)C2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-18-10-4-2-9(3-5-10)8-15-7-6-11(12(14)16)13(15)17/h2-5,11H,6-8H2,1H3,(H2,14,16)
InChIKeyCJLXEECMHRFVTG-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.53
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide

1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 140665359) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID140665359
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CCC(C(N)=O)C2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-18-10-4-2-9(3-5-10)8-15-7-6-11(12(14)16)13(15)17/h2-5,11H,6-8H2,1H3,(H2,14,16)
InChIKeyCJLXEECMHRFVTG-UHFFFAOYSA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
CID 119328850
1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119328855
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 136583669
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
(2S,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 102386977
3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 87324494
(3S)-1-[(4-amino-3-nitrophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 174398302
3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951734
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride
CID 119792938
3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119145641

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide (CID 140665359) is 1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide is COc1ccc(CN2CCC(C(N)=O)C2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is CJLXEECMHRFVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-10-4-2-9(3-5-10)8-15-7-6-11(12(14)16)13(15)17/h2-5,11H,6-8H2,1H3,(H2,14,16).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 140665359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).