1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C14H18N2O4 — CID 174760187

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cc(CN2C(=O)CCC2C(N)=O)cc(OC)c1
InChIInChI=1S/C14H18N2O4/c1-19-10-5-9(6-11(7-10)20-2)8-16-12(14(15)18)3-4-13(16)17/h5-7,12H,3-4,8H2,1-2H3,(H2,15,18)
InChIKeyQIGTZJFLQJNXRE-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.68
Rot. Bonds5

About 1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 174760187) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID174760187
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cc(CN2C(=O)CCC2C(N)=O)cc(OC)c1
InChIInChI=1S/C14H18N2O4/c1-19-10-5-9(6-11(7-10)20-2)8-16-12(14(15)18)3-4-13(16)17/h5-7,12H,3-4,8H2,1-2H3,(H2,15,18)
InChIKeyQIGTZJFLQJNXRE-UHFFFAOYSA-N
XLogP0.68
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 66645053
(2S)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 10560862
1-(2-amino-2-oxoethyl)-5-oxopyrrolidine-2-carboxamide
CID 3657675
1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 67094985
N'-[(4-hydroxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 174937980
1-[(4-methoxyphenyl)methyl]-N'-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 146469723
(2S)-N'-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155534976
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354706
(2S)-1-[[4-(dimethylamino)phenyl]methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 42127400
(2S)-1-[(4-fluorophenyl)methyl]-N'-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155537989
methyl 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 10570588

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 174760187) is 1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is COc1cc(CN2C(=O)CCC2C(N)=O)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QIGTZJFLQJNXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-10-5-9(6-11(7-10)20-2)8-16-12(14(15)18)3-4-13(16)17/h5-7,12H,3-4,8H2,1-2H3,(H2,15,18).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 174760187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).