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

C10H11NO4 — CID 3082066

IUPACN-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C10H11NO4/c1-6(12)11-5-10(15)7-2-3-8(13)9(14)4-7/h2-4,13-14H,5H2,1H3,(H,11,12)
InChIKeyQOJMCWVKYXUEBC-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.42
Rot. Bonds3

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

N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide (PubChem CID 3082066) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide
PubChem CID3082066
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC NameN-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C10H11NO4/c1-6(12)11-5-10(15)7-2-3-8(13)9(14)4-7/h2-4,13-14H,5H2,1H3,(H,11,12)
InChIKeyQOJMCWVKYXUEBC-UHFFFAOYSA-N
XLogP0.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.42
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide (CID 3082066) is N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide is CC(=O)NCC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide?
The InChIKey is QOJMCWVKYXUEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(12)11-5-10(15)7-2-3-8(13)9(14)4-7/h2-4,13-14H,5H2,1H3,(H,11,12).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide?
N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide has a molecular weight of 209.20 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]acetamide is sourced from PubChem (CID 3082066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).