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

C19H28N2O3 — CID 134005728

IUPAC1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)N(C)CC)C1c1ccc(OC)cc1
InChIInChI=1S/C19H28N2O3/c1-5-7-12-21-17(22)13-16(19(23)20(3)6-2)18(21)14-8-10-15(24-4)11-9-14/h8-11,16,18H,5-7,12-13H2,1-4H3
InChIKeyRGDHFZKAOKTLDT-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.86
Rot. Bonds7

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

1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 134005728) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID134005728
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)N(C)CC)C1c1ccc(OC)cc1
InChIInChI=1S/C19H28N2O3/c1-5-7-12-21-17(22)13-16(19(23)20(3)6-2)18(21)14-8-10-15(24-4)11-9-14/h8-11,16,18H,5-7,12-13H2,1-4H3
InChIKeyRGDHFZKAOKTLDT-UHFFFAOYSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(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
1-butyl-2-(4-methoxyphenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 43020169
1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24641086
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 30533551
1-butyl-N-(4-ethylphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18224722
(2R,3S)-1-butyl-2-(4-methoxyphenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35892676
(2S,3R)-1-butyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40986245
1-butyl-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46415501

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 134005728) is 1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CCCCN1C(=O)CC(C(=O)N(C)CC)C1c1ccc(OC)cc1.
What is the InChIKey of 1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RGDHFZKAOKTLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-7-12-21-17(22)13-16(19(23)20(3)6-2)18(21)14-8-10-15(24-4)11-9-14/h8-11,16,18H,5-7,12-13H2,1-4H3.
What are the key properties of 1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-ethyl-2-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134005728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).