N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide

C14H13NO4 — CID 67560299

IUPACN-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)Nc1ccc(O)c(O)c1
InChIInChI=1S/C14H13NO4/c16-11-3-1-2-9(6-11)7-14(19)15-10-4-5-12(17)13(18)8-10/h1-6,8,16-18H,7H2,(H,15,19)
InChIKeyCZNDGDFJUYHYNM-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.98
Rot. Bonds3

About N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide

N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 67560299) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide
PubChem CID67560299
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC NameN-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)Nc1ccc(O)c(O)c1
InChIInChI=1S/C14H13NO4/c16-11-3-1-2-9(6-11)7-14(19)15-10-4-5-12(17)13(18)8-10/h1-6,8,16-18H,7H2,(H,15,19)
InChIKeyCZNDGDFJUYHYNM-UHFFFAOYSA-N
XLogP1.98
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 61399458
N-[4-(aminomethyl)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399107
1-(3,4-dihydroxyphenyl)-3-[(3-hydroxyphenyl)methyl]urea
CID 71045044
N-(3-amino-4-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399667
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 28878488
N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide
CID 86865777
2-(4-amino-3-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 69307059
N-(3,5-dichloro-4-fluorophenyl)-2-(3-hydroxyphenyl)acetamide
CID 106511124
N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199133
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
2-(3-hydroxyphenyl)-N-(1H-pyrazol-4-yl)acetamide
CID 61399438
N-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 79049813

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide (CID 67560299) is N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)Nc1ccc(O)c(O)c1.
What is the InChIKey of N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is CZNDGDFJUYHYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-11-3-1-2-9(6-11)7-14(19)15-10-4-5-12(17)13(18)8-10/h1-6,8,16-18H,7H2,(H,15,19).
What are the key properties of N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide?
N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 259.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 67560299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).