N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide

C14H19NO7 — CID 11162770

IUPACN-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H19NO7/c16-8(6-22-7-4-2-1-3-5-7)15-9-10(17)12(19)14(21)13(20)11(9)18/h1-5,9-14,17-21H,6H2,(H,15,16)/t9?,10-,11+,12+,13-,14?
InChIKeyRAOVDUMJZDTHCB-BJIAHVAYSA-N
MW313.31 g/mol
LogP-2.63
Rot. Bonds4

About N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide

N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide (PubChem CID 11162770) has the molecular formula C14H19NO7 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
PubChem CID11162770
Molecular FormulaC14H19NO7
Molecular Weight313.31 g/mol
Exact Mass313.12
IUPAC NameN-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H19NO7/c16-8(6-22-7-4-2-1-3-5-7)15-9-10(17)12(19)14(21)13(20)11(9)18/h1-5,9-14,17-21H,6H2,(H,15,16)/t9?,10-,11+,12+,13-,14?
InChIKeyRAOVDUMJZDTHCB-BJIAHVAYSA-N
XLogP-2.63
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.31
LogP ≤ 5-2.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
CID 110164138
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N'-chloro-2-phenoxyacetohydrazide
CID 174818653
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide
CID 58879695
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide
CID 78199659
[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate
CID 11821934
4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate
CID 7027212
4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
CID 123895994

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide (CID 11162770) is N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O.
What is the InChIKey of N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide?
The InChIKey is RAOVDUMJZDTHCB-BJIAHVAYSA-N. The full InChI is InChI=1S/C14H19NO7/c16-8(6-22-7-4-2-1-3-5-7)15-9-10(17)12(19)14(21)13(20)11(9)18/h1-5,9-14,17-21H,6H2,(H,15,16)/t9?,10-,11+,12+,13-,14?.
What are the key properties of N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide?
N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide has a molecular weight of 313.31 g/mol, XLogP of -2.63, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide is sourced from PubChem (CID 11162770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).