tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate

C13H25NO3 — CID 22037861

IUPACtert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C1CCCCC1
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyYNBRORWNNGUYQA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate

tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate (PubChem CID 22037861) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate
PubChem CID22037861
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C1CCCCC1
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyYNBRORWNNGUYQA-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-((2R)-1-hydroxy-4-methylpentan-2-yl)carbamate
CID 16211316
tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-4-cyclohexyl-2-hydroxybutyl]amino}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate
CID 455710
tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)carbamate
CID 546110
Boc-L-leucinol
CID 7018766
N-Boc-(2S,3S)-(-)-2-Amino-3-methyl-1-pentanol
CID 14237729
(S)-(-)-2-(tert-Butoxycarbonylamino)-3-cyclohexyl-1-propanol
CID 11043405
tert-butyl N-[(3R)-1-cyclohexyl-4-[[(2R)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate
CID 44294557
tert-butyl N-(1-(hydroxymethyl)cyclohexyl)carbamate
CID 1514395
tert-butyl ((1R,2S)-2-hydroxycyclohexyl)carbaMate
CID 14249472
tert-Butyl ((4-hydroxycyclohexyl)methyl)carbamate
CID 25417625
tert-butyl [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamate
CID 59007582
N-Boc-L-cyclohexylglycinol
CID 16217740

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate (CID 22037861) is tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)NC(CO)C1CCCCC1.
What is the InChIKey of tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate?
The InChIKey is YNBRORWNNGUYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h10-11,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate?
tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate is sourced from PubChem (CID 22037861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).