2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide

C16H17NO4 — CID 107722488

IUPAC2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(O)ccc2O)c1
InChIInChI=1S/C16H17NO4/c1-17(10-11-4-3-5-13(8-11)21-2)16(20)14-9-12(18)6-7-15(14)19/h3-9,18-19H,10H2,1-2H3
InChIKeyYWRIJPZCUPTZFH-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.38
Rot. Bonds4

About 2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide

2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 107722488) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID107722488
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(O)ccc2O)c1
InChIInChI=1S/C16H17NO4/c1-17(10-11-4-3-5-13(8-11)21-2)16(20)14-9-12(18)6-7-15(14)19/h3-9,18-19H,10H2,1-2H3
InChIKeyYWRIJPZCUPTZFH-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

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60667390
5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 61418056
2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917457
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330502
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 9112314
N-(furan-3-ylmethyl)-2,5-dihydroxy-N-methylbenzamide
CID 107722501

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (CID 107722488) is 2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide is COc1cccc(CN(C)C(=O)c2cc(O)ccc2O)c1.
What is the InChIKey of 2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is YWRIJPZCUPTZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-17(10-11-4-3-5-13(8-11)21-2)16(20)14-9-12(18)6-7-15(14)19/h3-9,18-19H,10H2,1-2H3.
What are the key properties of 2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
2,5-dihydroxy-N-[(3-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 2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 107722488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).