ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate

C16H22N2O2 — CID 6046306

IUPACethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate
SMILESCCOC(=O)N/N=C(/c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22N2O2/c1-2-20-16(19)18-17-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H,18,19)/b17-15-
InChIKeyTZUXOPOSMOFVSL-ICFOKQHNSA-N
MW274.36 g/mol
LogP3.72
Rot. Bonds4

About ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate

ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate (PubChem CID 6046306) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate
PubChem CID6046306
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate
SMILESCCOC(=O)N/N=C(/c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22N2O2/c1-2-20-16(19)18-17-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H,18,19)/b17-15-
InChIKeyTZUXOPOSMOFVSL-ICFOKQHNSA-N
XLogP3.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate?
The IUPAC name of ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate (CID 6046306) is ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate.
What is the SMILES notation for ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate?
The canonical SMILES for ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate is CCOC(=O)N/N=C(/c1ccccc1)C1CCCCC1.
What is the InChIKey of ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate?
The InChIKey is TZUXOPOSMOFVSL-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-20-16(19)18-17-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H,18,19)/b17-15-.
What are the key properties of ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate?
ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate has a molecular weight of 274.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate is sourced from PubChem (CID 6046306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).