ethyl N-[(4-phenylcyclohexylidene)amino]carbamate

C15H20N2O2 — CID 4564048

IUPACethyl N-[(4-phenylcyclohexylidene)amino]carbamate
SMILESCCOC(=O)NN=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H20N2O2/c1-2-19-15(18)17-16-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,18)/b16-14-
InChIKeyXWHMPFMCSPRJQF-PEZBUJJGSA-N
MW260.34 g/mol
LogP3.45
Rot. Bonds3

About ethyl N-[(4-phenylcyclohexylidene)amino]carbamate

ethyl N-[(4-phenylcyclohexylidene)amino]carbamate (PubChem CID 4564048) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl N-[(4-phenylcyclohexylidene)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(4-phenylcyclohexylidene)amino]carbamate
PubChem CID4564048
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl N-[(4-phenylcyclohexylidene)amino]carbamate
SMILESCCOC(=O)NN=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H20N2O2/c1-2-19-15(18)17-16-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,18)/b16-14-
InChIKeyXWHMPFMCSPRJQF-PEZBUJJGSA-N
XLogP3.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.45
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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Related Compounds

2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-
CID 112849
ethyl 2-(9H-fluoren-9-ylidene)hydrazinecarboxylate
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2,2-dimethyl-N'-(4-phenylcyclohexylidene)propanehydrazide
CID 24819039
N'-(4-phenylcyclohexylidene)acetohydrazide
CID 5154466
ethyl N-[1-[4-[N-(ethoxycarbonylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]carbamate
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Ethyl 2-(1-methyl-3-phenyl-2-propenylidene)hydrazinecarboxylate
CID 9640969
Methyl 2-(4-phenylcyclohexylidene)hydrazinecarboxylate
CID 4424884
methyl N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]carbamate
CID 9608123
ethyl N-[(E)-[cyclohexyl(phenyl)methylidene]amino]carbamate
CID 6046306
ethyl 2-(2,3-dihydro-1H-inden-1-ylidene)hydrazinecarboxylate
CID 9564877
ethyl N-[(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino]carbamate
CID 9580667
Methyl 2-(1-methyl-3-phenyl-2-propenylidene)-1-hydrazinecarboxylate
CID 9581658

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-phenylcyclohexylidene)amino]carbamate?
The IUPAC name of ethyl N-[(4-phenylcyclohexylidene)amino]carbamate (CID 4564048) is ethyl N-[(4-phenylcyclohexylidene)amino]carbamate.
What is the SMILES notation for ethyl N-[(4-phenylcyclohexylidene)amino]carbamate?
The canonical SMILES for ethyl N-[(4-phenylcyclohexylidene)amino]carbamate is CCOC(=O)NN=C1CCC(c2ccccc2)CC1.
What is the InChIKey of ethyl N-[(4-phenylcyclohexylidene)amino]carbamate?
The InChIKey is XWHMPFMCSPRJQF-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-19-15(18)17-16-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,18)/b16-14-.
What are the key properties of ethyl N-[(4-phenylcyclohexylidene)amino]carbamate?
ethyl N-[(4-phenylcyclohexylidene)amino]carbamate has a molecular weight of 260.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-phenylcyclohexylidene)amino]carbamate is sourced from PubChem (CID 4564048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).