2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide

C16H17NO3 — CID 113199088

IUPAC2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C16H17NO3/c1-10-4-3-5-11(2)16(10)17-15(20)9-12-6-7-13(18)14(19)8-12/h3-8,18-19H,9H2,1-2H3,(H,17,20)
InChIKeyRJBNPDZAXBPFFQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.90
Rot. Bonds3

About 2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide

2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 113199088) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide
PubChem CID113199088
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C16H17NO3/c1-10-4-3-5-11(2)16(10)17-15(20)9-12-6-7-13(18)14(19)8-12/h3-8,18-19H,9H2,1-2H3,(H,17,20)
InChIKeyRJBNPDZAXBPFFQ-UHFFFAOYSA-N
XLogP2.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199182
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)acetamide
CID 7676831
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17397609
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)acetamide
CID 78821982
N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 67560299
N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199172
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
2-(2,4-difluorophenyl)-N-(2,6-dimethylphenyl)acetamide
CID 110488922
3-methyl-2-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235606
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide (CID 113199088) is 2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)Cc1ccc(O)c(O)c1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is RJBNPDZAXBPFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-4-3-5-11(2)16(10)17-15(20)9-12-6-7-13(18)14(19)8-12/h3-8,18-19H,9H2,1-2H3,(H,17,20).
What are the key properties of 2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide?
2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 113199088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).