(2,5-dimethylcyclohexyl) N-phenylcarbamate

C15H21NO2 — CID 126478009

IUPAC(2,5-dimethylcyclohexyl) N-phenylcarbamate
SMILESCC1CCC(C)C(OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-11-8-9-12(2)14(10-11)18-15(17)16-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,16,17)
InChIKeyFNZSQACKDXAWKL-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.06
Rot. Bonds2

About (2,5-dimethylcyclohexyl) N-phenylcarbamate

(2,5-dimethylcyclohexyl) N-phenylcarbamate (PubChem CID 126478009) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2,5-dimethylcyclohexyl) N-phenylcarbamate.

Molecular Properties

Compound Name(2,5-dimethylcyclohexyl) N-phenylcarbamate
PubChem CID126478009
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2,5-dimethylcyclohexyl) N-phenylcarbamate
SMILESCC1CCC(C)C(OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-11-8-9-12(2)14(10-11)18-15(17)16-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,16,17)
InChIKeyFNZSQACKDXAWKL-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylcyclohexyl) N-phenylcarbamate?
The IUPAC name of (2,5-dimethylcyclohexyl) N-phenylcarbamate (CID 126478009) is (2,5-dimethylcyclohexyl) N-phenylcarbamate.
What is the SMILES notation for (2,5-dimethylcyclohexyl) N-phenylcarbamate?
The canonical SMILES for (2,5-dimethylcyclohexyl) N-phenylcarbamate is CC1CCC(C)C(OC(=O)Nc2ccccc2)C1.
What is the InChIKey of (2,5-dimethylcyclohexyl) N-phenylcarbamate?
The InChIKey is FNZSQACKDXAWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-8-9-12(2)14(10-11)18-15(17)16-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,16,17).
What are the key properties of (2,5-dimethylcyclohexyl) N-phenylcarbamate?
(2,5-dimethylcyclohexyl) N-phenylcarbamate has a molecular weight of 247.34 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylcyclohexyl) N-phenylcarbamate is sourced from PubChem (CID 126478009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).