[1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate

C20H31NO3 — CID 100919842

IUPAC[1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(C1CCCCC1)C(O)c1ccc(C)cc1
InChIInChI=1S/C20H31NO3/c1-4-21(5-2)20(23)24-19(17-9-7-6-8-10-17)18(22)16-13-11-15(3)12-14-16/h11-14,17-19,22H,4-10H2,1-3H3
InChIKeyQCSQFFILNOADJT-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.46
Rot. Bonds6

About [1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate

[1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate (PubChem CID 100919842) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is [1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate
PubChem CID100919842
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name[1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(C1CCCCC1)C(O)c1ccc(C)cc1
InChIInChI=1S/C20H31NO3/c1-4-21(5-2)20(23)24-19(17-9-7-6-8-10-17)18(22)16-13-11-15(3)12-14-16/h11-14,17-19,22H,4-10H2,1-3H3
InChIKeyQCSQFFILNOADJT-UHFFFAOYSA-N
XLogP4.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate?
The IUPAC name of [1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate (CID 100919842) is [1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate.
What is the SMILES notation for [1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate?
The canonical SMILES for [1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate is CCN(CC)C(=O)OC(C1CCCCC1)C(O)c1ccc(C)cc1.
What is the InChIKey of [1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate?
The InChIKey is QCSQFFILNOADJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-4-21(5-2)20(23)24-19(17-9-7-6-8-10-17)18(22)16-13-11-15(3)12-14-16/h11-14,17-19,22H,4-10H2,1-3H3.
What are the key properties of [1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate?
[1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate has a molecular weight of 333.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate is sourced from PubChem (CID 100919842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).