(4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate

C14H19NO3 — CID 174772133

IUPAC(4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate
SMILESCN(C(=O)OC1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-15(11-5-3-2-4-6-11)14(17)18-13-9-7-12(16)8-10-13/h2-6,12-13,16H,7-10H2,1H3
InChIKeyMAMRIBGTFFZNPH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.56
Rot. Bonds2

About (4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate

(4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate (PubChem CID 174772133) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name(4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate
PubChem CID174772133
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate
SMILESCN(C(=O)OC1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-15(11-5-3-2-4-6-11)14(17)18-13-9-7-12(16)8-10-13/h2-6,12-13,16H,7-10H2,1H3
InChIKeyMAMRIBGTFFZNPH-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate?
The IUPAC name of (4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate (CID 174772133) is (4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate.
What is the SMILES notation for (4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate?
The canonical SMILES for (4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate is CN(C(=O)OC1CCC(O)CC1)c1ccccc1.
What is the InChIKey of (4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate?
The InChIKey is MAMRIBGTFFZNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(11-5-3-2-4-6-11)14(17)18-13-9-7-12(16)8-10-13/h2-6,12-13,16H,7-10H2,1H3.
What are the key properties of (4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate?
(4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate has a molecular weight of 249.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate is sourced from PubChem (CID 174772133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).