1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H31N3O2 — CID 113189808

IUPAC1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2CC(C(=O)N(CC)c3cccc(C)c3)CC2=O)cc1
InChIInChI=1S/C24H31N3O2/c1-5-25(6-2)20-11-13-21(14-12-20)27-17-19(16-23(27)28)24(29)26(7-3)22-10-8-9-18(4)15-22/h8-15,19H,5-7,16-17H2,1-4H3
InChIKeyIRQSNVHFNUCQTH-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.25
Rot. Bonds7

About 1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113189808) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113189808
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2CC(C(=O)N(CC)c3cccc(C)c3)CC2=O)cc1
InChIInChI=1S/C24H31N3O2/c1-5-25(6-2)20-11-13-21(14-12-20)27-17-19(16-23(27)28)24(29)26(7-3)22-10-8-9-18(4)15-22/h8-15,19H,5-7,16-17H2,1-4H3
InChIKeyIRQSNVHFNUCQTH-UHFFFAOYSA-N
XLogP4.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
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

N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189843
ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113191696
N-ethyl-1-[(2-methoxyphenyl)methyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183889
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
(3R)-N'-[4-(diethylamino)benzoyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9155875
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
N-ethyl-N-(2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080533
1-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108787236
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
1-(2,3-dichlorophenyl)-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191384
1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113189751
1-[4-(diethylamino)phenyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113189756

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113189808) is 1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC)c1ccc(N2CC(C(=O)N(CC)c3cccc(C)c3)CC2=O)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IRQSNVHFNUCQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-25(6-2)20-11-13-21(14-12-20)27-17-19(16-23(27)28)24(29)26(7-3)22-10-8-9-18(4)15-22/h8-15,19H,5-7,16-17H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113189808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).