benzene;ethyl N-cyclohexylcarbamate

C15H23NO2 — CID 145371833

IUPACbenzene;ethyl N-cyclohexylcarbamate
SMILESCCOC(=O)NC1CCCCC1.c1ccccc1
InChIInChI=1S/C9H17NO2.C6H6/c1-2-12-9(11)10-8-6-4-3-5-7-8;1-2-4-6-5-3-1/h8H,2-7H2,1H3,(H,10,11);1-6H
InChIKeyBCYCNDIMCALJHL-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.75
Rot. Bonds2

About benzene;ethyl N-cyclohexylcarbamate

benzene;ethyl N-cyclohexylcarbamate (PubChem CID 145371833) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is benzene;ethyl N-cyclohexylcarbamate.

Molecular Properties

Compound Namebenzene;ethyl N-cyclohexylcarbamate
PubChem CID145371833
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namebenzene;ethyl N-cyclohexylcarbamate
SMILESCCOC(=O)NC1CCCCC1.c1ccccc1
InChIInChI=1S/C9H17NO2.C6H6/c1-2-12-9(11)10-8-6-4-3-5-7-8;1-2-4-6-5-3-1/h8H,2-7H2,1H3,(H,10,11);1-6H
InChIKeyBCYCNDIMCALJHL-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;ethyl N-cyclohexylcarbamate?
The IUPAC name of benzene;ethyl N-cyclohexylcarbamate (CID 145371833) is benzene;ethyl N-cyclohexylcarbamate.
What is the SMILES notation for benzene;ethyl N-cyclohexylcarbamate?
The canonical SMILES for benzene;ethyl N-cyclohexylcarbamate is CCOC(=O)NC1CCCCC1.c1ccccc1.
What is the InChIKey of benzene;ethyl N-cyclohexylcarbamate?
The InChIKey is BCYCNDIMCALJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C6H6/c1-2-12-9(11)10-8-6-4-3-5-7-8;1-2-4-6-5-3-1/h8H,2-7H2,1H3,(H,10,11);1-6H.
What are the key properties of benzene;ethyl N-cyclohexylcarbamate?
benzene;ethyl N-cyclohexylcarbamate has a molecular weight of 249.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl N-cyclohexylcarbamate is sourced from PubChem (CID 145371833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).