N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide

C14H19NO4 — CID 110164138

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H19NO4/c16-12-8-4-7-11(14(12)18)15-13(17)9-19-10-5-2-1-3-6-10/h1-3,5-6,11-12,14,16,18H,4,7-9H2,(H,15,17)/t11-,12-,14-/m1/s1
InChIKeyYISKODOOUUCYAF-YRGRVCCFSA-N
MW265.31 g/mol
LogP0.46
Rot. Bonds4

About N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide (PubChem CID 110164138) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
PubChem CID110164138
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H19NO4/c16-12-8-4-7-11(14(12)18)15-13(17)9-19-10-5-2-1-3-6-10/h1-3,5-6,11-12,14,16,18H,4,7-9H2,(H,15,17)/t11-,12-,14-/m1/s1
InChIKeyYISKODOOUUCYAF-YRGRVCCFSA-N
XLogP0.46
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
CID 11162770
2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956604
N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide
CID 110158776
4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
CID 123895994
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide
CID 110125138
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
2-(3-ethylphenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62366654
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide (CID 110164138) is N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide is O=C(COc1ccccc1)N[C@@H]1CCC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide?
The InChIKey is YISKODOOUUCYAF-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H19NO4/c16-12-8-4-7-11(14(12)18)15-13(17)9-19-10-5-2-1-3-6-10/h1-3,5-6,11-12,14,16,18H,4,7-9H2,(H,15,17)/t11-,12-,14-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide has a molecular weight of 265.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide is sourced from PubChem (CID 110164138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).