1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C25H32N2O4 — CID 112762981

IUPAC1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2=O)c(OC)c1
InChIInChI=1S/C25H32N2O4/c1-15(2)19-8-7-9-20(16(3)4)24(19)26-25(29)17-12-23(28)27(14-17)21-11-10-18(30-5)13-22(21)31-6/h7-11,13,15-17H,12,14H2,1-6H3,(H,26,29)
InChIKeyJWNPSJTVJDVQCM-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.94
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 112762981) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID112762981
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2=O)c(OC)c1
InChIInChI=1S/C25H32N2O4/c1-15(2)19-8-7-9-20(16(3)4)24(19)26-25(29)17-12-23(28)27(14-17)21-11-10-18(30-5)13-22(21)31-6/h7-11,13,15-17H,12,14H2,1-6H3,(H,26,29)
InChIKeyJWNPSJTVJDVQCM-UHFFFAOYSA-N
XLogP4.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351533
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40720280
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351616
(3R)-N-(4-acetamidophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351652
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29137137
(3S)-N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351333
1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 51148416
(3R)-1-(2,4-dimethoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9351694
methyl 4-[[(3R)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9351557
(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651
N-(5-amino-2-methylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120568987
N-(2-tert-butylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904433

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 112762981) is 1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JWNPSJTVJDVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-15(2)19-8-7-9-20(16(3)4)24(19)26-25(29)17-12-23(28)27(14-17)21-11-10-18(30-5)13-22(21)31-6/h7-11,13,15-17H,12,14H2,1-6H3,(H,26,29).
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 112762981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).