N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C24H30N2O2 — CID 113186701

IUPACN-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC(=O)N(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C24H30N2O2/c1-5-17-8-7-9-18(6-2)23(17)25-24(28)20-14-22(27)26(15-20)21-12-10-19(11-13-21)16(3)4/h7-13,16,20H,5-6,14-15H2,1-4H3,(H,25,28)
InChIKeyJPPCTLSDRJVCSL-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.93
Rot. Bonds6

About N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113186701) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113186701
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CC(=O)N(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C24H30N2O2/c1-5-17-8-7-9-18(6-2)23(17)25-24(28)20-14-22(27)26(15-20)21-12-10-19(11-13-21)16(3)4/h7-13,16,20H,5-6,14-15H2,1-4H3,(H,25,28)
InChIKeyJPPCTLSDRJVCSL-UHFFFAOYSA-N
XLogP4.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7324231
methyl 4-[4-[(2,6-diethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189461
(3S)-N-(2-ethyl-6-methylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7900199
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
(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
N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791078
1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187267
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067
N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 17201834
N-(2-ethyl-6-methylphenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188729
(3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2585689

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 113186701) is N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CCc1cccc(CC)c1NC(=O)C1CC(=O)N(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is JPPCTLSDRJVCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-5-17-8-7-9-18(6-2)23(17)25-24(28)20-14-22(27)26(15-20)21-12-10-19(11-13-21)16(3)4/h7-13,16,20H,5-6,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113186701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).