1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C24H30N2O3 — CID 18224722

IUPAC1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)Nc2ccc(CC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C24H30N2O3/c1-4-6-15-26-22(27)16-21(23(26)18-9-13-20(29-3)14-10-18)24(28)25-19-11-7-17(5-2)8-12-19/h7-14,21,23H,4-6,15-16H2,1-3H3,(H,25,28)
InChIKeyRGLCNRQYQKJLMD-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.59
Rot. Bonds8

About 1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 18224722) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID18224722
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)Nc2ccc(CC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C24H30N2O3/c1-4-6-15-26-22(27)16-21(23(26)18-9-13-20(29-3)14-10-18)24(28)25-19-11-7-17(5-2)8-12-19/h7-14,21,23H,4-6,15-16H2,1-3H3,(H,25,28)
InChIKeyRGLCNRQYQKJLMD-UHFFFAOYSA-N
XLogP4.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-butyl-2-(4-methoxyphenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35892676
1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24641086
1-butyl-2-(4-methoxyphenyl)-5-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 55880454
1-butyl-2-(4-methoxyphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55509640
(2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982983
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51982985
1-butyl-N-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51180359
N-(4-acetamido-3-chlorophenyl)-1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24646739
(2S,3R)-1-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40986245
(2R,3R)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 30476387
1-butyl-N-ethoxy-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43048037
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 30533551

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 18224722) is 1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCN1C(=O)CC(C(=O)Nc2ccc(CC)cc2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RGLCNRQYQKJLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-6-15-26-22(27)16-21(23(26)18-9-13-20(29-3)14-10-18)24(28)25-19-11-7-17(5-2)8-12-19/h7-14,21,23H,4-6,15-16H2,1-3H3,(H,25,28).
What are the key properties of 1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18224722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).