1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C23H28N2O4 — CID 113187183

IUPAC1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3ccccc3C(C)(C)C)C2)c(OC)c1
InChIInChI=1S/C23H28N2O4/c1-23(2,3)17-8-6-7-9-19(17)25-14-15(12-21(25)26)22(27)24-18-11-10-16(28-4)13-20(18)29-5/h6-11,13,15H,12,14H2,1-5H3,(H,24,27)
InChIKeyIAANWBMDWDBUJI-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.99
Rot. Bonds5

About 1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187183) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113187183
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3ccccc3C(C)(C)C)C2)c(OC)c1
InChIInChI=1S/C23H28N2O4/c1-23(2,3)17-8-6-7-9-19(17)25-14-15(12-21(25)26)22(27)24-18-11-10-16(28-4)13-20(18)29-5/h6-11,13,15H,12,14H2,1-5H3,(H,24,27)
InChIKeyIAANWBMDWDBUJI-UHFFFAOYSA-N
XLogP3.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904433
1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187147
1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187153
N-(4-methoxy-2-nitrophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885973
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40720280
N-(2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46423944
1-(2,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55575698
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186808
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190182
(3R)-N-tert-butyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394386

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113187183) is 1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3ccccc3C(C)(C)C)C2)c(OC)c1.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IAANWBMDWDBUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-23(2,3)17-8-6-7-9-19(17)25-14-15(12-21(25)26)22(27)24-18-11-10-16(28-4)13-20(18)29-5/h6-11,13,15H,12,14H2,1-5H3,(H,24,27).
What are the key properties of 1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).