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

C17H22N2O2 — CID 2901918

IUPACN'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H22N2O2/c20-16(18-12-11-14-7-3-1-4-8-14)17(21)19-13-15-9-5-2-6-10-15/h2,5-7,9-10H,1,3-4,8,11-13H2,(H,18,20)(H,19,21)
InChIKeyJKLDUVJPEGWPLX-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.31
Rot. Bonds5

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

N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide (PubChem CID 2901918) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
PubChem CID2901918
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H22N2O2/c20-16(18-12-11-14-7-3-1-4-8-14)17(21)19-13-15-9-5-2-6-10-15/h2,5-7,9-10H,1,3-4,8,11-13H2,(H,18,20)(H,19,21)
InChIKeyJKLDUVJPEGWPLX-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.31
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'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The IUPAC name of N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide (CID 2901918) is N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The canonical SMILES for N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide is O=C(NCCC1=CCCCC1)C(=O)NCc1ccccc1.
What is the InChIKey of N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The InChIKey is JKLDUVJPEGWPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16(18-12-11-14-7-3-1-4-8-14)17(21)19-13-15-9-5-2-6-10-15/h2,5-7,9-10H,1,3-4,8,11-13H2,(H,18,20)(H,19,21).
What are the key properties of N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide has a molecular weight of 286.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide is sourced from PubChem (CID 2901918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).