1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H30N2O2 — CID 113187267

IUPAC1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CC(=O)N(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C24H30N2O2/c1-6-17-9-7-8-16(2)22(17)25-23(28)18-14-21(27)26(15-18)20-12-10-19(11-13-20)24(3,4)5/h7-13,18H,6,14-15H2,1-5H3,(H,25,28)
InChIKeyDEDWJAPWCSXZGA-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.85
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187267) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113187267
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CC(=O)N(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C24H30N2O2/c1-6-17-9-7-8-16(2)22(17)25-23(28)18-14-21(27)26(15-18)20-12-10-19(11-13-20)24(3,4)5/h7-13,18H,6,14-15H2,1-5H3,(H,25,28)
InChIKeyDEDWJAPWCSXZGA-UHFFFAOYSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188729
(3S)-N-(2-ethyl-6-methylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7900199
N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791078
(3R)-1-(4-bromophenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7392741
N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2925283
(3R)-1-(4-tert-butylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1038967
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417
methyl 4-[4-[(2,6-diethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189461
N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186701
N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188588
N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46634969
(3R)-N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7324231

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113187267) is 1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(C)c1NC(=O)C1CC(=O)N(c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DEDWJAPWCSXZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-6-17-9-7-8-16(2)22(17)25-23(28)18-14-21(27)26(15-18)20-12-10-19(11-13-20)24(3,4)5/h7-13,18H,6,14-15H2,1-5H3,(H,25,28).
What are the key properties of 1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).