N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide

C15H16N2O3 — CID 43548627

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2cc(N)ccc2O)c1O
InChIInChI=1S/C15H16N2O3/c1-9-3-2-4-12(14(9)19)15(20)17-8-10-7-11(16)5-6-13(10)18/h2-7,18-19H,8,16H2,1H3,(H,17,20)
InChIKeyNRQDKPLLWBOQMB-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.92
Rot. Bonds3

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

N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide (PubChem CID 43548627) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
PubChem CID43548627
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2cc(N)ccc2O)c1O
InChIInChI=1S/C15H16N2O3/c1-9-3-2-4-12(14(9)19)15(20)17-8-10-7-11(16)5-6-13(10)18/h2-7,18-19H,8,16H2,1H3,(H,17,20)
InChIKeyNRQDKPLLWBOQMB-UHFFFAOYSA-N
XLogP1.92
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82827346
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
CID 62514243
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 110909044
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 43548614
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 65244086
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151478
N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
CID 106850782

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide (CID 43548627) is N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NCc2cc(N)ccc2O)c1O.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is NRQDKPLLWBOQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-3-2-4-12(14(9)19)15(20)17-8-10-7-11(16)5-6-13(10)18/h2-7,18-19H,8,16H2,1H3,(H,17,20).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 272.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 43548627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).