N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H26N2O2 — CID 24981556

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCC3=CCCCC3)CC2=O)cc1
InChIInChI=1S/C20H26N2O2/c1-15-7-9-18(10-8-15)22-14-17(13-19(22)23)20(24)21-12-11-16-5-3-2-4-6-16/h5,7-10,17H,2-4,6,11-14H2,1H3,(H,21,24)
InChIKeyDMTAOONLTKSZGY-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 24981556) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID24981556
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCC3=CCCCC3)CC2=O)cc1
InChIInChI=1S/C20H26N2O2/c1-15-7-9-18(10-8-15)22-14-17(13-19(22)23)20(24)21-12-11-16-5-3-2-4-6-16/h5,7-10,17H,2-4,6,11-14H2,1H3,(H,21,24)
InChIKeyDMTAOONLTKSZGY-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.35
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 N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 24981556) is N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCCC3=CCCCC3)CC2=O)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DMTAOONLTKSZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-7-9-18(10-8-15)22-14-17(13-19(22)23)20(24)21-12-11-16-5-3-2-4-6-16/h5,7-10,17H,2-4,6,11-14H2,1H3,(H,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24981556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).