N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide

C16H18N2O3 — CID 43550234

IUPACN-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide
SMILESCCc1ccc(NC(=O)c2cccc(OC)c2O)cc1N
InChIInChI=1S/C16H18N2O3/c1-3-10-7-8-11(9-13(10)17)18-16(20)12-5-4-6-14(21-2)15(12)19/h4-9,19H,3,17H2,1-2H3,(H,18,20)
InChIKeyWGYHGWWRZIYVKO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.80
Rot. Bonds4

About N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide

N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide (PubChem CID 43550234) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide
PubChem CID43550234
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide
SMILESCCc1ccc(NC(=O)c2cccc(OC)c2O)cc1N
InChIInChI=1S/C16H18N2O3/c1-3-10-7-8-11(9-13(10)17)18-16(20)12-5-4-6-14(21-2)15(12)19/h4-9,19H,3,17H2,1-2H3,(H,18,20)
InChIKeyWGYHGWWRZIYVKO-UHFFFAOYSA-N
XLogP2.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.80
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-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide
CID 24692855
2-hydroxy-N-(3-hydroxyphenyl)-3-methoxybenzamide
CID 28739843
N-(3-amino-4-ethoxyphenyl)-2-methoxybenzamide
CID 70635969
N-(3-cyanophenyl)-2-hydroxy-3-methoxybenzamide
CID 24706951
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231
N-(4-amino-3-methoxyphenyl)-2-ethoxybenzamide
CID 61239481
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709290
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
CID 61168074
2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 29286272

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide (CID 43550234) is N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide is CCc1ccc(NC(=O)c2cccc(OC)c2O)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is WGYHGWWRZIYVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-10-7-8-11(9-13(10)17)18-16(20)12-5-4-6-14(21-2)15(12)19/h4-9,19H,3,17H2,1-2H3,(H,18,20).
What are the key properties of N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide?
N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 43550234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).