phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate

C15H21NO3 — CID 62526000

IUPACphenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate
SMILESCC1CCC(CO)(NC(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-12-7-9-15(11-17,10-8-12)16-14(18)19-13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3,(H,16,18)
InChIKeyYSEYBIXBSIWQBI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.72
Rot. Bonds3

About phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate

phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate (PubChem CID 62526000) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate
PubChem CID62526000
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namephenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate
SMILESCC1CCC(CO)(NC(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-12-7-9-15(11-17,10-8-12)16-14(18)19-13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3,(H,16,18)
InChIKeyYSEYBIXBSIWQBI-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate?
The IUPAC name of phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate (CID 62526000) is phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate.
What is the SMILES notation for phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate?
The canonical SMILES for phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate is CC1CCC(CO)(NC(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate?
The InChIKey is YSEYBIXBSIWQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-7-9-15(11-17,10-8-12)16-14(18)19-13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3,(H,16,18).
What are the key properties of phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate?
phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate is sourced from PubChem (CID 62526000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).