N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide

C16H17NO3 — CID 79600826

IUPACN-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1O
InChIInChI=1S/C16H17NO3/c1-10-6-11(2)8-13(7-10)17-16(19)12-4-5-15(20-3)14(18)9-12/h4-9,18H,1-3H3,(H,17,19)
InChIKeyMIMGGSPJGUVUCT-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.27
Rot. Bonds3

About N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide

N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 79600826) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
PubChem CID79600826
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1O
InChIInChI=1S/C16H17NO3/c1-10-6-11(2)8-13(7-10)17-16(19)12-4-5-15(20-3)14(18)9-12/h4-9,18H,1-3H3,(H,17,19)
InChIKeyMIMGGSPJGUVUCT-UHFFFAOYSA-N
XLogP3.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36704961
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114310808
N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726483
3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide
CID 79601178
N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270
N-(2-bromo-5-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 82757838
N-(2,4-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600823
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466
4-amino-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 43710822
N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114299769

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide (CID 79600826) is N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1O.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is MIMGGSPJGUVUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-6-11(2)8-13(7-10)17-16(19)12-4-5-15(20-3)14(18)9-12/h4-9,18H,1-3H3,(H,17,19).
What are the key properties of N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide?
N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 271.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79600826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).