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

C13H20N2O2 — CID 4039904

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyloxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NC1CC1
InChIInChI=1S/C13H20N2O2/c16-12(13(17)15-11-6-7-11)14-9-8-10-4-2-1-3-5-10/h4,11H,1-3,5-9H2,(H,14,16)(H,15,17)
InChIKeyUHCMPRMRRSAASC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.27
Rot. Bonds4

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

N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyloxamide (PubChem CID 4039904) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyloxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyloxamide
PubChem CID4039904
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyloxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NC1CC1
InChIInChI=1S/C13H20N2O2/c16-12(13(17)15-11-6-7-11)14-9-8-10-4-2-1-3-5-10/h4,11H,1-3,5-9H2,(H,14,16)(H,15,17)
InChIKeyUHCMPRMRRSAASC-UHFFFAOYSA-N
XLogP1.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.27
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'-cyclopropyloxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyloxamide (CID 4039904) is N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyloxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyloxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyloxamide is O=C(NCCC1=CCCCC1)C(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyloxamide?
The InChIKey is UHCMPRMRRSAASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12(13(17)15-11-6-7-11)14-9-8-10-4-2-1-3-5-10/h4,11H,1-3,5-9H2,(H,14,16)(H,15,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyloxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyloxamide has a molecular weight of 236.31 g/mol, XLogP of 1.27, 4 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'-cyclopropyloxamide is sourced from PubChem (CID 4039904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).