1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C24H30N2O3 — CID 46363730

IUPAC1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCOc1ccc(CCN2C(=O)CCC2(C)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-29-21-11-9-19(10-12-21)14-16-26-22(27)13-15-24(26,3)23(28)25-17-20-7-5-18(2)6-8-20/h5-12H,4,13-17H2,1-3H3,(H,25,28)
InChIKeyPJUMKYBVJWOCSB-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.63
Rot. Bonds8

About 1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 46363730) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID46363730
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCOc1ccc(CCN2C(=O)CCC2(C)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-29-21-11-9-19(10-12-21)14-16-26-22(27)13-15-24(26,3)23(28)25-17-20-7-5-18(2)6-8-20/h5-12H,4,13-17H2,1-3H3,(H,25,28)
InChIKeyPJUMKYBVJWOCSB-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92731010
(2R)-N-benzyl-2-methyl-1-[2-(4-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92719936
N-benzyl-2-methyl-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 46247148
(2R)-N-benzyl-2-methyl-1-[2-(2-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92734431
(2S)-1-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731044
2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 3701224
(2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734417
1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
N-cyclooctyl-1-[(4-ethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 20968052
(2R)-N-benzyl-1-[2-(2-chlorophenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734433
(3R)-2-[(4-ethoxyphenyl)methyl]-3-methyl-N-[(4-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide
CID 93071551
(6S)-2-N-[2-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744141

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 46363730) is 1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CCOc1ccc(CCN2C(=O)CCC2(C)C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is PJUMKYBVJWOCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-29-21-11-9-19(10-12-21)14-16-26-22(27)13-15-24(26,3)23(28)25-17-20-7-5-18(2)6-8-20/h5-12H,4,13-17H2,1-3H3,(H,25,28).
What are the key properties of 1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46363730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).