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

C13H22N2O3 — CID 2289204

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H22N2O3/c1-18-10-9-15-13(17)12(16)14-8-7-11-5-3-2-4-6-11/h5H,2-4,6-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyQVEZNVPUMOWCBL-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.20
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide (PubChem CID 2289204) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
PubChem CID2289204
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H22N2O3/c1-18-10-9-15-13(17)12(16)14-8-7-11-5-3-2-4-6-11/h5H,2-4,6-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyQVEZNVPUMOWCBL-UHFFFAOYSA-N
XLogP1.20
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity313

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.20
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]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 53616075
N-[2-(cyclohexen-1-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3416847
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
Ethyl [(2-cyclohex-1-EN-1-ylethyl)amino](oxo)acetate
CID 28710174
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-(1-hydroxybutan-2-yl)oxalamide
CID 45584864
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-hydroxy-3-methoxy-2-methylpropyl)oxalamide
CID 56724240

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide (CID 2289204) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide?
The InChIKey is QVEZNVPUMOWCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-18-10-9-15-13(17)12(16)14-8-7-11-5-3-2-4-6-11/h5H,2-4,6-10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide has a molecular weight of 254.33 g/mol, XLogP of 1.20, 6 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'-(2-methoxyethyl)oxamide is sourced from PubChem (CID 2289204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).