[(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate

C17H27NO3 — CID 101421050

IUPAC[(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)O[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H27NO3/c19-14-3-1-2-4-15(14)21-16(20)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15,19H,1-10H2,(H,18,20)/t11?,12?,13?,14-,15+,17?/m0/s1
InChIKeyDUGDYQYHLBZJAS-ULRUDBTPSA-N
MW293.41 g/mol
LogP2.98
Rot. Bonds2

About [(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate

[(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate (PubChem CID 101421050) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate.

Molecular Properties

Compound Name[(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate
PubChem CID101421050
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)O[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H27NO3/c19-14-3-1-2-4-15(14)21-16(20)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15,19H,1-10H2,(H,18,20)/t11?,12?,13?,14-,15+,17?/m0/s1
InChIKeyDUGDYQYHLBZJAS-ULRUDBTPSA-N
XLogP2.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-adamantylcarbamoyloxy)phenyl] N-(1-adamantyl)carbamate
CID 118586680
[(1R,2R,3S)-2-fluoro-3-methylcyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 170109247
6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate
CID 130313063
1-(1-adamantyl)-3-cyclododecylurea
CID 22978783
N-(1-adamantyl)-2-cyclohexylacetamide
CID 23739251
N-(1-adamantyl)-2-methylpiperidine-1-carboxamide
CID 2981068
1-(1-adamantyl)-3-cyclopropylurea
CID 3128946
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 8020130
N-(1-adamantyl)-2-cyclohexylsulfanylacetamide
CID 8705689
N-(1-adamantyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 11601752
1-N,4-N-bis(1-adamantyl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 171722423
2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate
CID 103970598

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate?
The IUPAC name of [(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate (CID 101421050) is [(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate.
What is the SMILES notation for [(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate?
The canonical SMILES for [(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate is O=C(NC12CC3CC(CC(C3)C1)C2)O[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of [(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate?
The InChIKey is DUGDYQYHLBZJAS-ULRUDBTPSA-N. The full InChI is InChI=1S/C17H27NO3/c19-14-3-1-2-4-15(14)21-16(20)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15,19H,1-10H2,(H,18,20)/t11?,12?,13?,14-,15+,17?/m0/s1.
What are the key properties of [(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate?
[(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate has a molecular weight of 293.41 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-hydroxycyclohexyl] N-(1-adamantyl)carbamate is sourced from PubChem (CID 101421050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).