1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H26N2O4 — CID 46569608

IUPAC1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CC(=O)N(c2ccc(OC)c(OC)c2)C1)c1ccccc1C
InChIInChI=1S/C22H26N2O4/c1-5-23(18-9-7-6-8-15(18)2)22(26)16-12-21(25)24(14-16)17-10-11-19(27-3)20(13-17)28-4/h6-11,13,16H,5,12,14H2,1-4H3
InChIKeyFMFVFLUENICJIW-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.42
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46569608) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46569608
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CC(=O)N(c2ccc(OC)c(OC)c2)C1)c1ccccc1C
InChIInChI=1S/C22H26N2O4/c1-5-23(18-9-7-6-8-15(18)2)22(26)16-12-21(25)24(14-16)17-10-11-19(27-3)20(13-17)28-4/h6-11,13,16H,5,12,14H2,1-4H3
InChIKeyFMFVFLUENICJIW-UHFFFAOYSA-N
XLogP3.42
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080533
1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75870162
N-(1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 46569591
N-ethyl-1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43052325
3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid
CID 119191735
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 86946447
N-cyclopropyl-1-(3,4-dimethoxyphenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 55594967
(3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9398194
1-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 134048379
N-benzyl-1-(3,4-dimethoxyphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 55600017
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46569608) is 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCN(C(=O)C1CC(=O)N(c2ccc(OC)c(OC)c2)C1)c1ccccc1C.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FMFVFLUENICJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-5-23(18-9-7-6-8-15(18)2)22(26)16-12-21(25)24(14-16)17-10-11-19(27-3)20(13-17)28-4/h6-11,13,16H,5,12,14H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46569608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).