5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide

C15H16N2O5 — CID 10447743

IUPAC5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide
SMILESCONC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
InChIInChI=1S/C15H16N2O5/c1-22-17-15(21)12-7-10(2-4-14(12)20)16-8-9-6-11(18)3-5-13(9)19/h2-7,16,18-20H,8H2,1H3,(H,17,21)
InChIKeyZQPKEZMNIDYNIY-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.71
Rot. Bonds5

About 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide

5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide (PubChem CID 10447743) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide.

Molecular Properties

Compound Name5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide
PubChem CID10447743
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide
SMILESCONC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
InChIInChI=1S/C15H16N2O5/c1-22-17-15(21)12-7-10(2-4-14(12)20)16-8-9-6-11(18)3-5-13(9)19/h2-7,16,18-20H,8H2,1H3,(H,17,21)
InChIKeyZQPKEZMNIDYNIY-UHFFFAOYSA-N
XLogP1.71
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 67786808
2-[(3-methylanilino)methyl]benzene-1,4-diol
CID 82681028
3-[(2-hydroxy-5-nitrophenyl)methylamino]-N-methoxybenzamide
CID 142621755
1-[2-amino-5-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]-3,3-dimethylbutan-1-one
CID 70513186
methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43672704
methyl 5-[(5-bromo-2-hydroxyphenyl)methylamino]-2-fluorobenzoate
CID 107737733
4-hydroxy-N-methoxy-2-methylbenzamide
CID 103865166
2-[[4-amino-3-(2-hydroxyethyl)anilino]methyl]benzene-1,4-diol;hydrochloride
CID 23437239
methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43715405
2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
CID 43713579
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 71715351

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide?
The IUPAC name of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide (CID 10447743) is 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide.
What is the SMILES notation for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide?
The canonical SMILES for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide is CONC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O.
What is the InChIKey of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide?
The InChIKey is ZQPKEZMNIDYNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-22-17-15(21)12-7-10(2-4-14(12)20)16-8-9-6-11(18)3-5-13(9)19/h2-7,16,18-20H,8H2,1H3,(H,17,21).
What are the key properties of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide?
5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide has a molecular weight of 304.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-methoxybenzamide is sourced from PubChem (CID 10447743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).