1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C23H28N2O4 — CID 55345584

IUPAC1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)Nc2cc(OC)cc(OC)c2)CC1=O
InChIInChI=1S/C23H28N2O4/c1-5-15(2)20-8-6-7-9-21(20)25-14-16(10-22(25)26)23(27)24-17-11-18(28-3)13-19(12-17)29-4/h6-9,11-13,15-16H,5,10,14H2,1-4H3,(H,24,27)
InChIKeyQOGGDRWYIRBUIH-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.21
Rot. Bonds7

About 1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55345584) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55345584
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)Nc2cc(OC)cc(OC)c2)CC1=O
InChIInChI=1S/C23H28N2O4/c1-5-15(2)20-8-6-7-9-21(20)25-14-16(10-22(25)26)23(27)24-17-11-18(28-3)13-19(12-17)29-4/h6-9,11-13,15-16H,5,10,14H2,1-4H3,(H,24,27)
InChIKeyQOGGDRWYIRBUIH-UHFFFAOYSA-N
XLogP4.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7947509
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159175
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 98399133
(3R)-N-(1,3-benzodioxol-5-yl)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2458183
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8891763
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922406
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40602516
methyl 2-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoate
CID 55343911
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9376758

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55345584) is 1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCC(C)c1ccccc1N1CC(C(=O)Nc2cc(OC)cc(OC)c2)CC1=O.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QOGGDRWYIRBUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-5-15(2)20-8-6-7-9-21(20)25-14-16(10-22(25)26)23(27)24-17-11-18(28-3)13-19(12-17)29-4/h6-9,11-13,15-16H,5,10,14H2,1-4H3,(H,24,27).
What are the key properties of 1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55345584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).