3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide

C15H15NO3 — CID 107728489

IUPAC3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1N(C)C(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H15NO3/c1-10-5-3-4-6-12(10)16(2)15(19)11-7-8-13(17)14(18)9-11/h3-9,17-18H,1-2H3
InChIKeySMIRYAYYGHAAPR-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.68
Rot. Bonds2

About 3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide

3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide (PubChem CID 107728489) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide
PubChem CID107728489
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1N(C)C(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H15NO3/c1-10-5-3-4-6-12(10)16(2)15(19)11-7-8-13(17)14(18)9-11/h3-9,17-18H,1-2H3
InChIKeySMIRYAYYGHAAPR-UHFFFAOYSA-N
XLogP2.68
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide 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

3,5-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 107703877
N-[2-(aminomethyl)phenyl]-3,4-dihydroxy-N-methylbenzamide
CID 107727847
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
2-hydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 20668349
N-methyl-N-(2-methylphenyl)-3,4-dinitrobenzamide
CID 54159508
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide
CID 107075078
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
N-methyl-N-(2-methylphenyl)carbamate
CID 21115000
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide (CID 107728489) is 3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide is Cc1ccccc1N(C)C(=O)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide?
The InChIKey is SMIRYAYYGHAAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-5-3-4-6-12(10)16(2)15(19)11-7-8-13(17)14(18)9-11/h3-9,17-18H,1-2H3.
What are the key properties of 3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide?
3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide has a molecular weight of 257.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 107728489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).