1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H31N3O2 — CID 113191577

IUPAC1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2CC(C(=O)Nc3ccc(C)cc3C)CC2=O)c(C)c1
InChIInChI=1S/C24H31N3O2/c1-6-26(7-2)20-9-11-22(18(5)13-20)27-15-19(14-23(27)28)24(29)25-21-10-8-16(3)12-17(21)4/h8-13,19H,6-7,14-15H2,1-5H3,(H,25,29)
InChIKeyNFVMLYIQZIMNCB-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.45
Rot. Bonds6

About 1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191577) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113191577
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2CC(C(=O)Nc3ccc(C)cc3C)CC2=O)c(C)c1
InChIInChI=1S/C24H31N3O2/c1-6-26(7-2)20-9-11-22(18(5)13-20)27-15-19(14-23(27)28)24(29)25-21-10-8-16(3)12-17(21)4/h8-13,19H,6-7,14-15H2,1-5H3,(H,25,29)
InChIKeyNFVMLYIQZIMNCB-UHFFFAOYSA-N
XLogP4.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.45
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

N-[4-(diethylamino)-2-methylphenyl]-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186212
N-[4-(diethylamino)-2-methylphenyl]-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186285
N-(4-chloro-2-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186061
N-(4-chlorophenyl)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191590
1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191874
N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191534
(3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 94675568
(3R)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carbonyl chloride
CID 94675569
(3S)-1-(3-acetamidophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 92727119
N-(4-bromo-2-fluorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152054
N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182073
1-[4-(diethylamino)-2-methylphenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191550

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113191577) is 1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC)c1ccc(N2CC(C(=O)Nc3ccc(C)cc3C)CC2=O)c(C)c1.
What is the InChIKey of 1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NFVMLYIQZIMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-6-26(7-2)20-9-11-22(18(5)13-20)27-15-19(14-23(27)28)24(29)25-21-10-8-16(3)12-17(21)4/h8-13,19H,6-7,14-15H2,1-5H3,(H,25,29).
What are the key properties of 1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).