N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide

C16H18N2O3 — CID 103144431

IUPACN-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2cc(C)c(N)cc2C)c1
InChIInChI=1S/C16H18N2O3/c1-9-7-14(10(2)6-13(9)17)18-16(20)12-8-11(21-3)4-5-15(12)19/h4-8,19H,17H2,1-3H3,(H,18,20)
InChIKeyXSUZLAIQIGRBDP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.85
Rot. Bonds3

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

N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide (PubChem CID 103144431) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide
PubChem CID103144431
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2cc(C)c(N)cc2C)c1
InChIInChI=1S/C16H18N2O3/c1-9-7-14(10(2)6-13(9)17)18-16(20)12-8-11(21-3)4-5-15(12)19/h4-8,19H,17H2,1-3H3,(H,18,20)
InChIKeyXSUZLAIQIGRBDP-UHFFFAOYSA-N
XLogP2.85
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide
CID 107729175
N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide
CID 79768277
2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide
CID 115412666
N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60715660
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide
CID 103144449
2-hydroxy-5-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691144
4-amino-3-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 107075184
2-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 80504227
2-amino-N-(2-hydroxy-4-methoxyphenyl)-5-methylbenzamide
CID 102695337
N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731159
N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide
CID 64794044

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide (CID 103144431) is N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)Nc2cc(C)c(N)cc2C)c1.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is XSUZLAIQIGRBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-7-14(10(2)6-13(9)17)18-16(20)12-8-11(21-3)4-5-15(12)19/h4-8,19H,17H2,1-3H3,(H,18,20).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide?
N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 103144431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).