4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide

C16H22N2O4 — CID 70609654

IUPAC4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CC(c2ccc(OC)c(OC)c2)CC1=O
InChIInChI=1S/C16H22N2O4/c1-4-7-17-16(20)18-10-12(9-15(18)19)11-5-6-13(21-2)14(8-11)22-3/h5-6,8,12H,4,7,9-10H2,1-3H3,(H,17,20)
InChIKeyUMYITYYKJNSJRV-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.14
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide

4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide (PubChem CID 70609654) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide
PubChem CID70609654
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CC(c2ccc(OC)c(OC)c2)CC1=O
InChIInChI=1S/C16H22N2O4/c1-4-7-17-16(20)18-10-12(9-15(18)19)11-5-6-13(21-2)14(8-11)22-3/h5-6,8,12H,4,7,9-10H2,1-3H3,(H,17,20)
InChIKeyUMYITYYKJNSJRV-UHFFFAOYSA-N
XLogP2.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 14537163
5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid
CID 42865225
1-N-butyl-5-(3,4-dimethoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865453
1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130474
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
N-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-propylpyrrolidine-3-carboxamide
CID 113181947
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
[[(3S,4R)-1-butyl-4-(3,4-dimethoxyphenyl)-6-oxopiperidine-3-carbonyl]amino] hydrogen carbonate
CID 174902683
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 16765282
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113182010
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
6,7-dimethoxy-1-phenyl-N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 42599232

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide (CID 70609654) is 4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide is CCCNC(=O)N1CC(c2ccc(OC)c(OC)c2)CC1=O.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide?
The InChIKey is UMYITYYKJNSJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-7-17-16(20)18-10-12(9-15(18)19)11-5-6-13(21-2)14(8-11)22-3/h5-6,8,12H,4,7,9-10H2,1-3H3,(H,17,20).
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide?
4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 70609654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).