3,4-dihydroxy-N-methoxybenzamide

C8H9NO4 — CID 103956380

IUPAC3,4-dihydroxy-N-methoxybenzamide
SMILESCONC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C8H9NO4/c1-13-9-8(12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3,(H,9,12)
InChIKeyICYQDSLFWUGBMX-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.39
Rot. Bonds2

About 3,4-dihydroxy-N-methoxybenzamide

3,4-dihydroxy-N-methoxybenzamide (PubChem CID 103956380) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3,4-dihydroxy-N-methoxybenzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-methoxybenzamide
PubChem CID103956380
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name3,4-dihydroxy-N-methoxybenzamide
SMILESCONC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C8H9NO4/c1-13-9-8(12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3,(H,9,12)
InChIKeyICYQDSLFWUGBMX-UHFFFAOYSA-N
XLogP0.39
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.39
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide
CID 52913696
3,4-dihydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103956666
3,4-dihydroxy-N-phenylmethoxybenzamide
CID 91664812
3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
CID 177473805
4-ethyl-N-methoxy-3-methylbenzamide
CID 145366952
3-chloro-4-iodo-N-methoxybenzamide
CID 103734914
3-(chloroamino)-N-methoxy-4-methylbenzamide
CID 89354643
N-methoxy-2-methylisoindole-5-carboxamide
CID 134393881
tert-butyl (2S)-2-[(3,4-dihydroxybenzoyl)amino]propanoate
CID 103957625
amino 3,4-dihydroxybenzoate
CID 91429810
N-(4-amino-2-methylbutan-2-yl)-3,4-dihydroxybenzamide
CID 107727561
N-[(E)-ethylideneamino]-3,4-dihydroxybenzamide
CID 90127167

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-methoxybenzamide?
The IUPAC name of 3,4-dihydroxy-N-methoxybenzamide (CID 103956380) is 3,4-dihydroxy-N-methoxybenzamide.
What is the SMILES notation for 3,4-dihydroxy-N-methoxybenzamide?
The canonical SMILES for 3,4-dihydroxy-N-methoxybenzamide is CONC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-methoxybenzamide?
The InChIKey is ICYQDSLFWUGBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-13-9-8(12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3,(H,9,12).
What are the key properties of 3,4-dihydroxy-N-methoxybenzamide?
3,4-dihydroxy-N-methoxybenzamide has a molecular weight of 183.16 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-methoxybenzamide is sourced from PubChem (CID 103956380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).