ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

C23H26N2O4 — CID 113191696

IUPACethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CC(C(=O)N(CC)c2cccc(C)c2)CC1=O
InChIInChI=1S/C23H26N2O4/c1-4-24(18-10-8-9-16(3)13-18)22(27)17-14-21(26)25(15-17)20-12-7-6-11-19(20)23(28)29-5-2/h6-13,17H,4-5,14-15H2,1-3H3
InChIKeyKCQBZUJNUQVQNB-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.58
Rot. Bonds6

About ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (PubChem CID 113191696) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
PubChem CID113191696
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nameethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CC(C(=O)N(CC)c2cccc(C)c2)CC1=O
InChIInChI=1S/C23H26N2O4/c1-4-24(18-10-8-9-16(3)13-18)22(27)17-14-21(26)25(15-17)20-12-7-6-11-19(20)23(28)29-5-2/h6-13,17H,4-5,14-15H2,1-3H3
InChIKeyKCQBZUJNUQVQNB-UHFFFAOYSA-N
XLogP3.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189808
N-ethyl-N-(3-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189843
1-(2,3-dichlorophenyl)-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191384
N-ethyl-1-[(2-methoxyphenyl)methyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183889
ethyl 2-[4-(morpholine-4-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113191614
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide
CID 90511743
N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120494
(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350860
N-ethyl-1-(2-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43052325
N-ethyl-1-(2-methylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113008859
(3S)-1-(2-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 735284

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The IUPAC name of ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (CID 113191696) is ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The canonical SMILES for ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is CCOC(=O)c1ccccc1N1CC(C(=O)N(CC)c2cccc(C)c2)CC1=O.
What is the InChIKey of ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The InChIKey is KCQBZUJNUQVQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-24(18-10-8-9-16(3)13-18)22(27)17-14-21(26)25(15-17)20-12-7-6-11-19(20)23(28)29-5-2/h6-13,17H,4-5,14-15H2,1-3H3.
What are the key properties of ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate has a molecular weight of 394.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[ethyl-(3-methylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 113191696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).