N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide

C16H18N2O2 — CID 103144449

IUPACN-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide
SMILESCc1cc(NC(=O)c2cccc(O)c2C)c(C)cc1N
InChIInChI=1S/C16H18N2O2/c1-9-8-14(10(2)7-13(9)17)18-16(20)12-5-4-6-15(19)11(12)3/h4-8,19H,17H2,1-3H3,(H,18,20)
InChIKeyBBIQRSAZWOXHLW-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.15
Rot. Bonds2

About N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide

N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide (PubChem CID 103144449) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide
PubChem CID103144449
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide
SMILESCc1cc(NC(=O)c2cccc(O)c2C)c(C)cc1N
InChIInChI=1S/C16H18N2O2/c1-9-8-14(10(2)7-13(9)17)18-16(20)12-5-4-6-15(19)11(12)3/h4-8,19H,17H2,1-3H3,(H,18,20)
InChIKeyBBIQRSAZWOXHLW-UHFFFAOYSA-N
XLogP3.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,5-dimethylphenyl)-3-hydroxypyridine-4-carboxamide
CID 103144448
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 104756953
N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
CID 107095769
N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 103144431
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 82808977
N-(4-amino-2,5-dimethylphenyl)-2-bromo-4-methylbenzamide
CID 103144537
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
CID 103144412

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide (CID 103144449) is N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide is Cc1cc(NC(=O)c2cccc(O)c2C)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is BBIQRSAZWOXHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-9-8-14(10(2)7-13(9)17)18-16(20)12-5-4-6-15(19)11(12)3/h4-8,19H,17H2,1-3H3,(H,18,20).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide?
N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103144449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).