N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide

C14H24N2O3 — CID 3126764

IUPACN'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2O3/c1-19-11-5-9-15-13(17)14(18)16-10-8-12-6-3-2-4-7-12/h6H,2-5,7-11H2,1H3,(H,15,17)(H,16,18)
InChIKeyCPZSYEXHVGXYSP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.15
Rot. Bonds7

About N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide

N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide (PubChem CID 3126764) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide
PubChem CID3126764
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2O3/c1-19-11-5-9-15-13(17)14(18)16-10-8-12-6-3-2-4-7-12/h6H,2-5,7-11H2,1H3,(H,15,17)(H,16,18)
InChIKeyCPZSYEXHVGXYSP-UHFFFAOYSA-N
XLogP1.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]-N'-propylethanediamide
CID 2888937
N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)ethanediamide
CID 2291103
N-(tert-butyl)-N'-[2-(1-cyclohexen-1-yl)ethyl]ethanediamide
CID 2914644
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopentyloxamide
CID 2287078
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-cyclohexylethanediamide
CID 2916009
N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3420120
N1-butyl-N2-(2-(cyclohex-1-en-1-yl)ethyl)oxalamide
CID 21212892
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(3-hydroxypropyl)oxalamide
CID 45584862
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-hydroxypropyl)oxalamide
CID 45584863
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-hydroxy-3-methoxy-2-methylpropyl)oxalamide
CID 56724240
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8963352

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide (CID 3126764) is N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide?
The InChIKey is CPZSYEXHVGXYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-19-11-5-9-15-13(17)14(18)16-10-8-12-6-3-2-4-7-12/h6H,2-5,7-11H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide?
N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-methoxypropyl)oxamide has a molecular weight of 268.36 g/mol, XLogP of 1.15, 7 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-(3-methoxypropyl)oxamide is sourced from PubChem (CID 3126764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).