2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide

C15H22N2O7 — CID 18381342

IUPAC2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide
SMILESCNC(=O)COC1C(O)C(CO)OC(Oc2ccc(N)cc2)C1O
InChIInChI=1S/C15H22N2O7/c1-17-11(19)7-22-14-12(20)10(6-18)24-15(13(14)21)23-9-4-2-8(16)3-5-9/h2-5,10,12-15,18,20-21H,6-7,16H2,1H3,(H,17,19)
InChIKeyYUNRDMMPBZJJFC-UHFFFAOYSA-N
MW342.35 g/mol
LogP-1.78
Rot. Bonds6

About 2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide

2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide (PubChem CID 18381342) has the molecular formula C15H22N2O7 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide
PubChem CID18381342
Molecular FormulaC15H22N2O7
Molecular Weight342.35 g/mol
Exact Mass342.14
IUPAC Name2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide
SMILESCNC(=O)COC1C(O)C(CO)OC(Oc2ccc(N)cc2)C1O
InChIInChI=1S/C15H22N2O7/c1-17-11(19)7-22-14-12(20)10(6-18)24-15(13(14)21)23-9-4-2-8(16)3-5-9/h2-5,10,12-15,18,20-21H,6-7,16H2,1H3,(H,17,19)
InChIKeyYUNRDMMPBZJJFC-UHFFFAOYSA-N
XLogP-1.78
TPSA143.50 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 5-1.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2R,3R,4S,5S,6R)-2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetate
CID 70155762
(2S,3S,4S,5R)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66509217
N-[2-(4-aminophenoxy)-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 165150126
N-[(3S)-2-(4-aminophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 153314272
N-butyl-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl]oxyacetamide
CID 54293749
[2-[6-(4-aminophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
CID 20676562
(2R,3R,4S,5R)-2-(hydroxymethyl)-4-methoxy-6-(4-methoxyphenoxy)oxane-3,5-diol
CID 146660886
2-(4-aminophenoxy)-5-[3-hydroxy-6-(hydroxymethyl)-4,5-dimethoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 18381352
[(2R,3S,4S,5R,6R)-6-(4-aminophenoxy)-3,4,5-trimethoxyoxan-2-yl]methanol
CID 70189759
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] acetate
CID 162885041
1-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
CID 91496230

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide?
The IUPAC name of 2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide (CID 18381342) is 2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide?
The canonical SMILES for 2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide is CNC(=O)COC1C(O)C(CO)OC(Oc2ccc(N)cc2)C1O.
What is the InChIKey of 2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide?
The InChIKey is YUNRDMMPBZJJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O7/c1-17-11(19)7-22-14-12(20)10(6-18)24-15(13(14)21)23-9-4-2-8(16)3-5-9/h2-5,10,12-15,18,20-21H,6-7,16H2,1H3,(H,17,19).
What are the key properties of 2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide?
2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide has a molecular weight of 342.35 g/mol, XLogP of -1.78, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-N-methylacetamide is sourced from PubChem (CID 18381342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).