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

C16H16N2O4 — CID 113199133

IUPACN-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1
InChIInChI=1S/C16H16N2O4/c1-10(19)17-12-3-5-13(6-4-12)18-16(22)9-11-2-7-14(20)15(21)8-11/h2-8,20-21H,9H2,1H3,(H,17,19)(H,18,22)
InChIKeyQTTZWPWJSSAKBL-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.24
Rot. Bonds4

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

N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide (PubChem CID 113199133) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide
PubChem CID113199133
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1
InChIInChI=1S/C16H16N2O4/c1-10(19)17-12-3-5-13(6-4-12)18-16(22)9-11-2-7-14(20)15(21)8-11/h2-8,20-21H,9H2,1H3,(H,17,19)(H,18,22)
InChIKeyQTTZWPWJSSAKBL-UHFFFAOYSA-N
XLogP2.24
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.24
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'}

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Related Compounds

N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
N-(2-acetamidoethyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 144547616
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide
CID 113199088
N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 67560299
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
2-(4-hydroxy-3-methoxyphenyl)-N-(4-iodophenyl)acetamide
CID 22019683
2-(4-acetamidophenyl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 18277249
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672553
N-(4-acetamidophenyl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)acetamide
CID 110773570

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide (CID 113199133) is N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide is CC(=O)Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
The InChIKey is QTTZWPWJSSAKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10(19)17-12-3-5-13(6-4-12)18-16(22)9-11-2-7-14(20)15(21)8-11/h2-8,20-21H,9H2,1H3,(H,17,19)(H,18,22).
What are the key properties of N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide has a molecular weight of 300.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide is sourced from PubChem (CID 113199133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).