2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide

C13H18N2O4 — CID 114764389

IUPAC2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
SMILESNc1c(O)cccc1OCC(=O)NC1CCOCC1
InChIInChI=1S/C13H18N2O4/c14-13-10(16)2-1-3-11(13)19-8-12(17)15-9-4-6-18-7-5-9/h1-3,9,16H,4-8,14H2,(H,15,17)
InChIKeyOZUAWKLVVAMWES-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.65
Rot. Bonds4

About 2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide

2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide (PubChem CID 114764389) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
PubChem CID114764389
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
SMILESNc1c(O)cccc1OCC(=O)NC1CCOCC1
InChIInChI=1S/C13H18N2O4/c14-13-10(16)2-1-3-11(13)19-8-12(17)15-9-4-6-18-7-5-9/h1-3,9,16H,4-8,14H2,(H,15,17)
InChIKeyOZUAWKLVVAMWES-UHFFFAOYSA-N
XLogP0.65
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide
CID 63091211
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide
CID 136556780
2-(4-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 55182267
[2-(oxan-4-ylamino)-2-oxoethyl] 2-amino-3-methylbenzoate
CID 63099058
2-(2-formyl-6-methoxyphenoxy)-N-(oxan-4-yl)acetamide
CID 63097655
3-[2-(oxan-4-ylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336144
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63639424
2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide
CID 114764237
2-(2-amino-3-hydroxyphenoxy)acetamide
CID 114764309
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63325624

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide (CID 114764389) is 2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide is Nc1c(O)cccc1OCC(=O)NC1CCOCC1.
What is the InChIKey of 2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide?
The InChIKey is OZUAWKLVVAMWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c14-13-10(16)2-1-3-11(13)19-8-12(17)15-9-4-6-18-7-5-9/h1-3,9,16H,4-8,14H2,(H,15,17).
What are the key properties of 2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide?
2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-hydroxyphenoxy)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 114764389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).