N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

C22H26N2O4 — CID 113186808

IUPACN-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3c(C)cc(C)cc3C)C2)c(OC)c1
InChIInChI=1S/C22H26N2O4/c1-13-8-14(2)21(15(3)9-13)24-12-16(10-20(24)25)22(26)23-18-7-6-17(27-4)11-19(18)28-5/h6-9,11,16H,10,12H2,1-5H3,(H,23,26)
InChIKeyUUYDGSUHFAZTBW-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.62
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113186808) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
PubChem CID113186808
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3c(C)cc(C)cc3C)C2)c(OC)c1
InChIInChI=1S/C22H26N2O4/c1-13-8-14(2)21(15(3)9-13)24-12-16(10-20(24)25)22(26)23-18-7-6-17(27-4)11-19(18)28-5/h6-9,11,16H,10,12H2,1-5H3,(H,23,26)
InChIKeyUUYDGSUHFAZTBW-UHFFFAOYSA-N
XLogP3.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160116
methyl 4-[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189484
N-(2,4-dichlorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186830
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186284
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190182
1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160156
1-(4-methoxyphenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 2926954
1-(2-tert-butylphenyl)-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187183
methyl 4-[[5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186819
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (CID 113186808) is N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3c(C)cc(C)cc3C)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is UUYDGSUHFAZTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-13-8-14(2)21(15(3)9-13)24-12-16(10-20(24)25)22(26)23-18-7-6-17(27-4)11-19(18)28-5/h6-9,11,16H,10,12H2,1-5H3,(H,23,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113186808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).