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

C15H24N2O3 — CID 3416847

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC1CCCO1
InChIInChI=1S/C15H24N2O3/c18-14(15(19)17-11-13-7-4-10-20-13)16-9-8-12-5-2-1-3-6-12/h5,13H,1-4,6-11H2,(H,16,18)(H,17,19)
InChIKeyOGRCZHCAHDOIRO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.29
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide (PubChem CID 3416847) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
PubChem CID3416847
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC1CCCO1
InChIInChI=1S/C15H24N2O3/c18-14(15(19)17-11-13-7-4-10-20-13)16-9-8-12-5-2-1-3-6-12/h5,13H,1-4,6-11H2,(H,16,18)(H,17,19)
InChIKeyOGRCZHCAHDOIRO-UHFFFAOYSA-N
XLogP1.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide (CID 3416847) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide is O=C(NCCC1=CCCCC1)C(=O)NCC1CCCO1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide?
The InChIKey is OGRCZHCAHDOIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-14(15(19)17-11-13-7-4-10-20-13)16-9-8-12-5-2-1-3-6-12/h5,13H,1-4,6-11H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide has a molecular weight of 280.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3416847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).