ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate

C13H23NO3 — CID 167496137

IUPACethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate
SMILESCCOC(=O)N=C(CC1CCCCC1)OCC
InChIInChI=1S/C13H23NO3/c1-3-16-12(14-13(15)17-4-2)10-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3
InChIKeyWXLFPIQLICNOSA-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.55
Rot. Bonds4

About ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate

ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate (PubChem CID 167496137) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate
PubChem CID167496137
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate
SMILESCCOC(=O)N=C(CC1CCCCC1)OCC
InChIInChI=1S/C13H23NO3/c1-3-16-12(14-13(15)17-4-2)10-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3
InChIKeyWXLFPIQLICNOSA-UHFFFAOYSA-N
XLogP3.55
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4,4-difluorocyclohexyl)-N-ethoxycarbonylethanimidate
CID 167496195
ethyl 2-(3,3-difluorocyclohexyl)-N-ethoxycarbonylethanimidate
CID 175547920
5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one
CID 70634055
ethyl (Z)-N-ethoxycarbonylcyclohexanecarboximidate
CID 90426275
ethyl N-ethoxycarbonylcyclohexanecarbimidate
CID 90426276
3-cyclohexylpropyl N-ethylidenecarbamate
CID 123441124
4-Butan-2-yl-5-ethyl-5,6-dihydro-1,3-oxazin-2-one
CID 123494341
5-cyclohexylpentyl N-ethylidenecarbamate
CID 123633150
4-cyclohexyl-5H-1,3-oxazol-2-one
CID 162720018
ethyl 2-cycloheptyl-N-ethoxycarbonylethanimidate
CID 167496174
ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate
CID 10398307
ethyl (1Z)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate
CID 20786853

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate?
The IUPAC name of ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate (CID 167496137) is ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate.
What is the SMILES notation for ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate?
The canonical SMILES for ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate is CCOC(=O)N=C(CC1CCCCC1)OCC.
What is the InChIKey of ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate?
The InChIKey is WXLFPIQLICNOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-16-12(14-13(15)17-4-2)10-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate?
ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate has a molecular weight of 241.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-N-ethoxycarbonylethanimidate is sourced from PubChem (CID 167496137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).