2,3-dihydroxy-N-methoxy-N-methylbenzamide

C9H11NO4 — CID 114344880

IUPAC2,3-dihydroxy-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cccc(O)c1O
InChIInChI=1S/C9H11NO4/c1-10(14-2)9(13)6-4-3-5-7(11)8(6)12/h3-5,11-12H,1-2H3
InChIKeyVMBGTKDYIPWHGQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.73
Rot. Bonds2

About 2,3-dihydroxy-N-methoxy-N-methylbenzamide

2,3-dihydroxy-N-methoxy-N-methylbenzamide (PubChem CID 114344880) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2,3-dihydroxy-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-methoxy-N-methylbenzamide
PubChem CID114344880
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2,3-dihydroxy-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cccc(O)c1O
InChIInChI=1S/C9H11NO4/c1-10(14-2)9(13)6-4-3-5-7(11)8(6)12/h3-5,11-12H,1-2H3
InChIKeyVMBGTKDYIPWHGQ-UHFFFAOYSA-N
XLogP0.73
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.73
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-hydroxy-N-methoxy-N-methylbenzamide
CID 58735961
ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide
CID 142000932
2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide
CID 158439697
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
2,3-dihydroxy-N-methylbenzohydrazide
CID 142945868
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
2-hydroxy-4-iodo-N-methoxy-N-methylbenzamide
CID 135067027
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
2-(aminomethyl)-N-methoxy-N-methylbenzamide
CID 82505220
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389
2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 114343941

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-methoxy-N-methylbenzamide?
The IUPAC name of 2,3-dihydroxy-N-methoxy-N-methylbenzamide (CID 114344880) is 2,3-dihydroxy-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 2,3-dihydroxy-N-methoxy-N-methylbenzamide?
The canonical SMILES for 2,3-dihydroxy-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-methoxy-N-methylbenzamide?
The InChIKey is VMBGTKDYIPWHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-10(14-2)9(13)6-4-3-5-7(11)8(6)12/h3-5,11-12H,1-2H3.
What are the key properties of 2,3-dihydroxy-N-methoxy-N-methylbenzamide?
2,3-dihydroxy-N-methoxy-N-methylbenzamide has a molecular weight of 197.19 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 114344880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).