phenyl N-cyclooctylcarbamate

C15H21NO2 — CID 60636968

IUPACphenyl N-cyclooctylcarbamate
SMILESO=C(NC1CCCCCCC1)Oc1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(18-14-11-7-4-8-12-14)16-13-9-5-2-1-3-6-10-13/h4,7-8,11-13H,1-3,5-6,9-10H2,(H,16,17)
InChIKeyQCWVCEFGGYAPIF-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.89
Rot. Bonds2

About phenyl N-cyclooctylcarbamate

phenyl N-cyclooctylcarbamate (PubChem CID 60636968) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is phenyl N-cyclooctylcarbamate.

Molecular Properties

Compound Namephenyl N-cyclooctylcarbamate
PubChem CID60636968
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namephenyl N-cyclooctylcarbamate
SMILESO=C(NC1CCCCCCC1)Oc1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(18-14-11-7-4-8-12-14)16-13-9-5-2-1-3-6-10-13/h4,7-8,11-13H,1-3,5-6,9-10H2,(H,16,17)
InChIKeyQCWVCEFGGYAPIF-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl N-cyclooctylcarbamate?
The IUPAC name of phenyl N-cyclooctylcarbamate (CID 60636968) is phenyl N-cyclooctylcarbamate.
What is the SMILES notation for phenyl N-cyclooctylcarbamate?
The canonical SMILES for phenyl N-cyclooctylcarbamate is O=C(NC1CCCCCCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-cyclooctylcarbamate?
The InChIKey is QCWVCEFGGYAPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(18-14-11-7-4-8-12-14)16-13-9-5-2-1-3-6-10-13/h4,7-8,11-13H,1-3,5-6,9-10H2,(H,16,17).
What are the key properties of phenyl N-cyclooctylcarbamate?
phenyl N-cyclooctylcarbamate has a molecular weight of 247.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-cyclooctylcarbamate is sourced from PubChem (CID 60636968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).