N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide

C16H17NO4 — CID 18108995

IUPACN-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(C)cc2O)c1
InChIInChI=1S/C16H17NO4/c1-10-4-6-13(14(18)8-10)17-16(19)12-9-11(20-2)5-7-15(12)21-3/h4-9,18H,1-3H3,(H,17,19)
InChIKeyNDAGCBZURJXFOV-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.97
Rot. Bonds4

About N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide

N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide (PubChem CID 18108995) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide
PubChem CID18108995
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC NameN-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(C)cc2O)c1
InChIInChI=1S/C16H17NO4/c1-10-4-6-13(14(18)8-10)17-16(19)12-9-11(20-2)5-7-15(12)21-3/h4-9,18H,1-3H3,(H,17,19)
InChIKeyNDAGCBZURJXFOV-UHFFFAOYSA-N
XLogP2.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxy-4-methoxyphenyl)-5-methylbenzamide
CID 102695337
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60715660
2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 24682124
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
CID 103766869
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
N-(2-amino-4-methylphenyl)-2-hydroxy-4-methoxybenzamide
CID 43259027
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide
CID 112846311
N-(2,3-dimethyl-5-sulfamoylphenyl)-2,5-dimethoxybenzamide
CID 9141653
N-(2-hydroxy-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473856

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide (CID 18108995) is N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2ccc(C)cc2O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide?
The InChIKey is NDAGCBZURJXFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-4-6-13(14(18)8-10)17-16(19)12-9-11(20-2)5-7-15(12)21-3/h4-9,18H,1-3H3,(H,17,19).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide?
N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide has a molecular weight of 287.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 18108995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).