1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H24N2O2 — CID 2991467

IUPAC1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)N(C3CCCCC3)C2)c1
InChIInChI=1S/C18H24N2O2/c1-13-6-5-7-15(10-13)19-18(22)14-11-17(21)20(12-14)16-8-3-2-4-9-16/h5-7,10,14,16H,2-4,8-9,11-12H2,1H3,(H,19,22)
InChIKeyKUIIKQWAMXQELB-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.11
Rot. Bonds3

About 1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2991467) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2991467
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)N(C3CCCCC3)C2)c1
InChIInChI=1S/C18H24N2O2/c1-13-6-5-7-15(10-13)19-18(22)14-11-17(21)20(12-14)16-8-3-2-4-9-16/h5-7,10,14,16H,2-4,8-9,11-12H2,1H3,(H,19,22)
InChIKeyKUIIKQWAMXQELB-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2991467) is 1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(NC(=O)C2CC(=O)N(C3CCCCC3)C2)c1.
What is the InChIKey of 1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KUIIKQWAMXQELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-6-5-7-15(10-13)19-18(22)14-11-17(21)20(12-14)16-8-3-2-4-9-16/h5-7,10,14,16H,2-4,8-9,11-12H2,1H3,(H,19,22).
What are the key properties of 1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2991467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).