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

C22H32N2O2 — CID 3701224

IUPAC2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CCN2C(=O)CCC2(C)C(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C22H32N2O2/c1-16-4-8-18(9-5-16)13-15-24-20(25)12-14-22(24,3)21(26)23-19-10-6-17(2)7-11-19/h4-5,8-9,17,19H,6-7,10-15H2,1-3H3,(H,23,26)
InChIKeyNUYGSFDLJCJJED-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.61
Rot. Bonds5

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

2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 3701224) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID3701224
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CCN2C(=O)CCC2(C)C(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C22H32N2O2/c1-16-4-8-18(9-5-16)13-15-24-20(25)12-14-22(24,3)21(26)23-19-10-6-17(2)7-11-19/h4-5,8-9,17,19H,6-7,10-15H2,1-3H3,(H,23,26)
InChIKeyNUYGSFDLJCJJED-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 3701224) is 2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is Cc1ccc(CCN2C(=O)CCC2(C)C(=O)NC2CCC(C)CC2)cc1.
What is the InChIKey of 2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NUYGSFDLJCJJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-16-4-8-18(9-5-16)13-15-24-20(25)12-14-22(24,3)21(26)23-19-10-6-17(2)7-11-19/h4-5,8-9,17,19H,6-7,10-15H2,1-3H3,(H,23,26).
What are the key properties of 2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3701224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).