N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide

C14H24N2O2 — CID 3748694

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2O2/c1-11(2)10-16-14(18)13(17)15-9-8-12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyADTZWZNAOWYFRG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.77
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide (PubChem CID 3748694) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide
PubChem CID3748694
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2O2/c1-11(2)10-16-14(18)13(17)15-9-8-12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyADTZWZNAOWYFRG-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.77
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide (CID 3748694) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide?
The InChIKey is ADTZWZNAOWYFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)10-16-14(18)13(17)15-9-8-12-6-4-3-5-7-12/h6,11H,3-5,7-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylpropyl)oxamide has a molecular weight of 252.36 g/mol, XLogP of 1.77, 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'-(2-methylpropyl)oxamide is sourced from PubChem (CID 3748694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).