3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide

C14H13NO4 — CID 107735623

IUPAC3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)c(O)c1)c1cccc(O)c1
InChIInChI=1S/C14H13NO4/c1-15(10-3-2-4-11(16)8-10)14(19)9-5-6-12(17)13(18)7-9/h2-8,16-18H,1H3
InChIKeyDQSNAVMZCLNSGF-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.08
Rot. Bonds2

About 3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide

3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide (PubChem CID 107735623) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
PubChem CID107735623
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)c(O)c1)c1cccc(O)c1
InChIInChI=1S/C14H13NO4/c1-15(10-3-2-4-11(16)8-10)14(19)9-5-6-12(17)13(18)7-9/h2-8,16-18H,1H3
InChIKeyDQSNAVMZCLNSGF-UHFFFAOYSA-N
XLogP2.08
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.08
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

4-hydroxy-N-(3-hydroxyphenyl)-N,3-dimethylbenzamide
CID 107735629
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 107736061
N-(3-hydroxyphenyl)-N-methylpyridine-4-carboxamide
CID 107735844
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
N-(3-hydroxyphenyl)-N,2-dimethylpyridine-4-carboxamide
CID 107735739
N-(3-hydroxyphenyl)-N-methyl-1H-indazole-6-carboxamide
CID 107735897
6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide
CID 114009640
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide (CID 107735623) is 3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide is CN(C(=O)c1ccc(O)c(O)c1)c1cccc(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is DQSNAVMZCLNSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-15(10-3-2-4-11(16)8-10)14(19)9-5-6-12(17)13(18)7-9/h2-8,16-18H,1H3.
What are the key properties of 3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 259.26 g/mol, XLogP of 2.08, 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-(3-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 107735623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).