2-(ethylamino)-4,5-dihydroxybenzamide

C9H12N2O3 — CID 10330295

IUPAC2-(ethylamino)-4,5-dihydroxybenzamide
SMILESCCNc1cc(O)c(O)cc1C(N)=O
InChIInChI=1S/C9H12N2O3/c1-2-11-6-4-8(13)7(12)3-5(6)9(10)14/h3-4,11-13H,2H2,1H3,(H2,10,14)
InChIKeyVAWDXOCBSZJIEL-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.63
Rot. Bonds3

About 2-(ethylamino)-4,5-dihydroxybenzamide

2-(ethylamino)-4,5-dihydroxybenzamide (PubChem CID 10330295) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(ethylamino)-4,5-dihydroxybenzamide.

Molecular Properties

Compound Name2-(ethylamino)-4,5-dihydroxybenzamide
PubChem CID10330295
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(ethylamino)-4,5-dihydroxybenzamide
SMILESCCNc1cc(O)c(O)cc1C(N)=O
InChIInChI=1S/C9H12N2O3/c1-2-11-6-4-8(13)7(12)3-5(6)9(10)14/h3-4,11-13H,2H2,1H3,(H2,10,14)
InChIKeyVAWDXOCBSZJIEL-UHFFFAOYSA-N
XLogP0.63
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.63
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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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4,5-dihydroxybenzamide?
The IUPAC name of 2-(ethylamino)-4,5-dihydroxybenzamide (CID 10330295) is 2-(ethylamino)-4,5-dihydroxybenzamide.
What is the SMILES notation for 2-(ethylamino)-4,5-dihydroxybenzamide?
The canonical SMILES for 2-(ethylamino)-4,5-dihydroxybenzamide is CCNc1cc(O)c(O)cc1C(N)=O.
What is the InChIKey of 2-(ethylamino)-4,5-dihydroxybenzamide?
The InChIKey is VAWDXOCBSZJIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-11-6-4-8(13)7(12)3-5(6)9(10)14/h3-4,11-13H,2H2,1H3,(H2,10,14).
What are the key properties of 2-(ethylamino)-4,5-dihydroxybenzamide?
2-(ethylamino)-4,5-dihydroxybenzamide has a molecular weight of 196.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4,5-dihydroxybenzamide is sourced from PubChem (CID 10330295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).