2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide

C14H14N2O3 — CID 107733144

IUPAC2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(O)ccc1N)c1cccc(O)c1
InChIInChI=1S/C14H14N2O3/c1-16(9-3-2-4-10(17)7-9)14(19)12-8-11(18)5-6-13(12)15/h2-8,17-18H,15H2,1H3
InChIKeyREJKZZMQJCKJBS-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.96
Rot. Bonds2

About 2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide

2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide (PubChem CID 107733144) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
PubChem CID107733144
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(O)ccc1N)c1cccc(O)c1
InChIInChI=1S/C14H14N2O3/c1-16(9-3-2-4-10(17)7-9)14(19)12-8-11(18)5-6-13(12)15/h2-8,17-18H,15H2,1H3
InChIKeyREJKZZMQJCKJBS-UHFFFAOYSA-N
XLogP1.96
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
2-amino-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733131
2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735649
2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide
CID 114021335
2,5-dihydroxy-N-methyl-N-(3-methylphenyl)benzamide
CID 103892363
2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzamide
CID 62003309
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
2,5-dihydroxy-N-methyl-N-phenylbenzamide
CID 113347039
2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 107733285
3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
N-(3-hydroxyphenyl)-N-methylpyridine-4-carboxamide
CID 107735844

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide (CID 107733144) is 2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide is CN(C(=O)c1cc(O)ccc1N)c1cccc(O)c1.
What is the InChIKey of 2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is REJKZZMQJCKJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-16(9-3-2-4-10(17)7-9)14(19)12-8-11(18)5-6-13(12)15/h2-8,17-18H,15H2,1H3.
What are the key properties of 2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 258.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 107733144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).