N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide

C18H24N2O2 — CID 3117519

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H24N2O2/c1-14-7-9-16(10-8-14)13-20-18(22)17(21)19-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyHXHZVVCDEYUNMH-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide (PubChem CID 3117519) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
PubChem CID3117519
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H24N2O2/c1-14-7-9-16(10-8-14)13-20-18(22)17(21)19-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyHXHZVVCDEYUNMH-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide (CID 3117519) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide?
The InChIKey is HXHZVVCDEYUNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14-7-9-16(10-8-14)13-20-18(22)17(21)19-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide has a molecular weight of 300.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 3117519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).