(1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate

C19H29NO3 — CID 15856781

IUPAC(1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(C1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C19H29NO3/c1-3-20(4-2)19(22)23-18(16-13-9-6-10-14-16)17(21)15-11-7-5-8-12-15/h5,7-8,11-12,16-18,21H,3-4,6,9-10,13-14H2,1-2H3
InChIKeyVEKIPZNFAFOLJZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.15
Rot. Bonds6

About (1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate

(1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate (PubChem CID 15856781) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate
PubChem CID15856781
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(C1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C19H29NO3/c1-3-20(4-2)19(22)23-18(16-13-9-6-10-14-16)17(21)15-11-7-5-8-12-15/h5,7-8,11-12,16-18,21H,3-4,6,9-10,13-14H2,1-2H3
InChIKeyVEKIPZNFAFOLJZ-UHFFFAOYSA-N
XLogP4.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate
CID 100919842
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate
CID 101353525
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
[(1R,3S)-1-cyclohexyl-3-hydroxy-3-phenylpropyl] acetate
CID 10802419
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
CID 122517611
2-(cyclohexylamino)-1-phenylbutan-1-ol
CID 82312145
[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
CID 158475695
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
[(1S,4R)-4-cyclohexyl-4-hydroxy-1-phenylbut-2-ynyl] acetate
CID 101414867
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
2-cyclohexyl-2-methoxy-1-(4-methoxyphenyl)ethanol
CID 116756367
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate?
The IUPAC name of (1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate (CID 15856781) is (1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate.
What is the SMILES notation for (1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate?
The canonical SMILES for (1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate is CCN(CC)C(=O)OC(C1CCCCC1)C(O)c1ccccc1.
What is the InChIKey of (1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate?
The InChIKey is VEKIPZNFAFOLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-20(4-2)19(22)23-18(16-13-9-6-10-14-16)17(21)15-11-7-5-8-12-15/h5,7-8,11-12,16-18,21H,3-4,6,9-10,13-14H2,1-2H3.
What are the key properties of (1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate?
(1-cyclohexyl-2-hydroxy-2-phenylethyl) N,N-diethylcarbamate has a molecular weight of 319.45 g/mol, XLogP of 4.15, 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-phenylethyl) N,N-diethylcarbamate is sourced from PubChem (CID 15856781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).