N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide

C14H13NO4 — CID 118722097

IUPACN-(2,5-dihydroxyphenyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cc(O)ccc1O
InChIInChI=1S/C14H13NO4/c16-10-6-7-13(17)12(8-10)15-14(18)9-19-11-4-2-1-3-5-11/h1-8,16-17H,9H2,(H,15,18)
InChIKeyLKXPFNXMXPZRGS-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.12
Rot. Bonds4

About N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide

N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide (PubChem CID 118722097) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2,5-dihydroxyphenyl)-2-phenoxyacetamide
PubChem CID118722097
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC NameN-(2,5-dihydroxyphenyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cc(O)ccc1O
InChIInChI=1S/C14H13NO4/c16-10-6-7-13(17)12(8-10)15-14(18)9-19-11-4-2-1-3-5-11/h1-8,16-17H,9H2,(H,15,18)
InChIKeyLKXPFNXMXPZRGS-UHFFFAOYSA-N
XLogP2.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide?
The IUPAC name of N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide (CID 118722097) is N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cc(O)ccc1O.
What is the InChIKey of N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide?
The InChIKey is LKXPFNXMXPZRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-10-6-7-13(17)12(8-10)15-14(18)9-19-11-4-2-1-3-5-11/h1-8,16-17H,9H2,(H,15,18).
What are the key properties of N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide?
N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide has a molecular weight of 259.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxyphenyl)-2-phenoxyacetamide is sourced from PubChem (CID 118722097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).