1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

C19H32N2O2 — CID 22429072

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC(=O)N1CCC1=CCCCC1
InChIInChI=1S/C19H32N2O2/c1-15(2)10-13-20-18(23)19(3)12-9-17(22)21(19)14-11-16-7-5-4-6-8-16/h7,15H,4-6,8-14H2,1-3H3,(H,20,23)
InChIKeyBZEOOSJGVSLOPZ-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.42
Rot. Bonds7

About 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 22429072) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID22429072
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1(C)CCC(=O)N1CCC1=CCCCC1
InChIInChI=1S/C19H32N2O2/c1-15(2)10-13-20-18(23)19(3)12-9-17(22)21(19)14-11-16-7-5-4-6-8-16/h7,15H,4-6,8-14H2,1-3H3,(H,20,23)
InChIKeyBZEOOSJGVSLOPZ-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide (CID 22429072) is 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide is CC(C)CCNC(=O)C1(C)CCC(=O)N1CCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BZEOOSJGVSLOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-15(2)10-13-20-18(23)19(3)12-9-17(22)21(19)14-11-16-7-5-4-6-8-16/h7,15H,4-6,8-14H2,1-3H3,(H,20,23).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 22429072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).