1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

C19H26N2O2 — CID 24817929

IUPAC1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCCCC1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H26N2O2/c1-14-7-5-6-10-17(14)20-19(23)16-11-18(22)21(13-16)12-15-8-3-2-4-9-15/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3,(H,20,23)
InChIKeyVDYVABAKTVYRMT-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.73
Rot. Bonds4

About 1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 24817929) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID24817929
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCCCC1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H26N2O2/c1-14-7-5-6-10-17(14)20-19(23)16-11-18(22)21(13-16)12-15-8-3-2-4-9-15/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3,(H,20,23)
InChIKeyVDYVABAKTVYRMT-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (CID 24817929) is 1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is CC1CCCCC1NC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VDYVABAKTVYRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-7-5-6-10-17(14)20-19(23)16-11-18(22)21(13-16)12-15-8-3-2-4-9-15/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3,(H,20,23).
What are the key properties of 1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24817929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).