1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide

C22H26N2O2 — CID 50797683

IUPAC1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CCC(C(=O)NCCc3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C22H26N2O2/c1-3-17-7-9-19(10-8-17)24-14-12-20(22(24)26)21(25)23-13-11-18-6-4-5-16(2)15-18/h4-10,15,20H,3,11-14H2,1-2H3,(H,23,25)
InChIKeyCRKRBYAHBSPHFQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.27
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide

1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 50797683) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID50797683
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CCC(C(=O)NCCc3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C22H26N2O2/c1-3-17-7-9-19(10-8-17)24-14-12-20(22(24)26)21(25)23-13-11-18-6-4-5-16(2)15-18/h4-10,15,20H,3,11-14H2,1-2H3,(H,23,25)
InChIKeyCRKRBYAHBSPHFQ-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide (CID 50797683) is 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CCC(C(=O)NCCc3cccc(C)c3)C2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is CRKRBYAHBSPHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-17-7-9-19(10-8-17)24-14-12-20(22(24)26)21(25)23-13-11-18-6-4-5-16(2)15-18/h4-10,15,20H,3,11-14H2,1-2H3,(H,23,25).
What are the key properties of 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50797683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).