cyclohexyl N-[(4-methylphenyl)methylidene]carbamate

C15H19NO2 — CID 2759800

IUPACcyclohexyl N-[(4-methylphenyl)methylidene]carbamate
SMILESCc1ccc(C=NC(=O)OC2CCCCC2)cc1
InChIInChI=1S/C15H19NO2/c1-12-7-9-13(10-8-12)11-16-15(17)18-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3
InChIKeyHIDGICDZUWRMJQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.88
Rot. Bonds2

About cyclohexyl N-[(4-methylphenyl)methylidene]carbamate

cyclohexyl N-[(4-methylphenyl)methylidene]carbamate (PubChem CID 2759800) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is cyclohexyl N-[(4-methylphenyl)methylidene]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[(4-methylphenyl)methylidene]carbamate
PubChem CID2759800
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namecyclohexyl N-[(4-methylphenyl)methylidene]carbamate
SMILESCc1ccc(C=NC(=O)OC2CCCCC2)cc1
InChIInChI=1S/C15H19NO2/c1-12-7-9-13(10-8-12)11-16-15(17)18-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3
InChIKeyHIDGICDZUWRMJQ-UHFFFAOYSA-N
XLogP3.88
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[(4-methylphenyl)methylidene]carbamate?
The IUPAC name of cyclohexyl N-[(4-methylphenyl)methylidene]carbamate (CID 2759800) is cyclohexyl N-[(4-methylphenyl)methylidene]carbamate.
What is the SMILES notation for cyclohexyl N-[(4-methylphenyl)methylidene]carbamate?
The canonical SMILES for cyclohexyl N-[(4-methylphenyl)methylidene]carbamate is Cc1ccc(C=NC(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl N-[(4-methylphenyl)methylidene]carbamate?
The InChIKey is HIDGICDZUWRMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-7-9-13(10-8-12)11-16-15(17)18-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3.
What are the key properties of cyclohexyl N-[(4-methylphenyl)methylidene]carbamate?
cyclohexyl N-[(4-methylphenyl)methylidene]carbamate has a molecular weight of 245.32 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[(4-methylphenyl)methylidene]carbamate is sourced from PubChem (CID 2759800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).