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

C24H30N2O5 — CID 24641086

IUPAC1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)Nc2cc(OC)cc(OC)c2)C1c1ccc(OC)cc1
InChIInChI=1S/C24H30N2O5/c1-5-6-11-26-22(27)15-21(23(26)16-7-9-18(29-2)10-8-16)24(28)25-17-12-19(30-3)14-20(13-17)31-4/h7-10,12-14,21,23H,5-6,11,15H2,1-4H3,(H,25,28)
InChIKeyTXKSSVLCSSNCPD-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.04
Rot. Bonds9

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

1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 24641086) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID24641086
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C(=O)CC(C(=O)Nc2cc(OC)cc(OC)c2)C1c1ccc(OC)cc1
InChIInChI=1S/C24H30N2O5/c1-5-6-11-26-22(27)15-21(23(26)16-7-9-18(29-2)10-8-16)24(28)25-17-12-19(30-3)14-20(13-17)31-4/h7-10,12-14,21,23H,5-6,11,15H2,1-4H3,(H,25,28)
InChIKeyTXKSSVLCSSNCPD-UHFFFAOYSA-N
XLogP4.04
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-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
(2R,3R)-1-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95568106
1-butyl-2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 18164671
1-butyl-2-(4-methoxyphenyl)-5-oxo-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 46401528

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 24641086) is 1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCN1C(=O)CC(C(=O)Nc2cc(OC)cc(OC)c2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is TXKSSVLCSSNCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-5-6-11-26-22(27)15-21(23(26)16-7-9-18(29-2)10-8-16)24(28)25-17-12-19(30-3)14-20(13-17)31-4/h7-10,12-14,21,23H,5-6,11,15H2,1-4H3,(H,25,28).
What are the key properties of 1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24641086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).