2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide

C17H19NO4 — CID 113199035

IUPAC2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C17H19NO4/c1-22-16-5-3-2-4-13(16)8-9-18-17(21)11-12-6-7-14(19)15(20)10-12/h2-7,10,19-20H,8-9,11H2,1H3,(H,18,21)
InChIKeyVVOOSEAGFPLPCK-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.01
Rot. Bonds6

About 2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 113199035) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID113199035
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C17H19NO4/c1-22-16-5-3-2-4-13(16)8-9-18-17(21)11-12-6-7-14(19)15(20)10-12/h2-7,10,19-20H,8-9,11H2,1H3,(H,18,21)
InChIKeyVVOOSEAGFPLPCK-UHFFFAOYSA-N
XLogP2.01
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.01
H-Bond Donors ≤ 53
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

2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-(3-aminophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 28711954
2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113199033
2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110771131
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
N-[2-(2-methoxyphenyl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768444
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181298
2-(2-ethyl-3H-benzimidazol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110772738

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 113199035) is 2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)Cc1ccc(O)c(O)c1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is VVOOSEAGFPLPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-22-16-5-3-2-4-13(16)8-9-18-17(21)11-12-6-7-14(19)15(20)10-12/h2-7,10,19-20H,8-9,11H2,1H3,(H,18,21).
What are the key properties of 2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 301.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113199035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).