N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

C24H29N3O2 — CID 108791078

IUPACN-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C24H29N3O2/c1-3-18-8-6-7-17(2)23(18)25-24(29)19-15-22(28)27(16-19)21-11-9-20(10-12-21)26-13-4-5-14-26/h6-12,19H,3-5,13-16H2,1-2H3,(H,25,29)
InChIKeyWZAUQHBCJZMJFF-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.15
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 108791078) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID108791078
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C24H29N3O2/c1-3-18-8-6-7-17(2)23(18)25-24(29)19-15-22(28)27(16-19)21-11-9-20(10-12-21)26-13-4-5-14-26/h6-12,19H,3-5,13-16H2,1-2H3,(H,25,29)
InChIKeyWZAUQHBCJZMJFF-UHFFFAOYSA-N
XLogP4.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(2-ethyl-6-methylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7900199
(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
1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187267
N-(2-ethyl-6-methylphenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188729
(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-(2,6-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
N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5024775
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761294

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 108791078) is N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is CCc1cccc(C)c1NC(=O)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is WZAUQHBCJZMJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-18-8-6-7-17(2)23(18)25-24(29)19-15-22(28)27(16-19)21-11-9-20(10-12-21)26-13-4-5-14-26/h6-12,19H,3-5,13-16H2,1-2H3,(H,25,29).
What are the key properties of N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 108791078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).