2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

C16H17NO4 — CID 103748911

IUPAC2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1c(O)cccc1O
InChIInChI=1S/C16H17NO4/c1-17(10-11-6-3-4-9-14(11)21-2)16(20)15-12(18)7-5-8-13(15)19/h3-9,18-19H,10H2,1-2H3
InChIKeyGCNYHUQQWULXGA-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.38
Rot. Bonds4

About 2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 103748911) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID103748911
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1c(O)cccc1O
InChIInChI=1S/C16H17NO4/c1-17(10-11-6-3-4-9-14(11)21-2)16(20)15-12(18)7-5-8-13(15)19/h3-9,18-19H,10H2,1-2H3
InChIKeyGCNYHUQQWULXGA-UHFFFAOYSA-N
XLogP2.38
TPSA70.00 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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
6-amino-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62239842
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61112078
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 38005257
1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea
CID 113233571
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (CID 103748911) is 2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccccc1CN(C)C(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is GCNYHUQQWULXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-17(10-11-6-3-4-9-14(11)21-2)16(20)15-12(18)7-5-8-13(15)19/h3-9,18-19H,10H2,1-2H3.
What are the key properties of 2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 287.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 103748911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).