2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide

C16H17NO4 — CID 58981626

IUPAC2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2c(O)cc(C)cc2O)cc1
InChIInChI=1S/C16H17NO4/c1-10-7-13(18)15(14(19)8-10)16(20)17-9-11-3-5-12(21-2)6-4-11/h3-8,18-19H,9H2,1-2H3,(H,17,20)
InChIKeyKCOGHZLEAXSUOL-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.34
Rot. Bonds4

About 2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide

2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide (PubChem CID 58981626) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
PubChem CID58981626
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2c(O)cc(C)cc2O)cc1
InChIInChI=1S/C16H17NO4/c1-10-7-13(18)15(14(19)8-10)16(20)17-9-11-3-5-12(21-2)6-4-11/h3-8,18-19H,9H2,1-2H3,(H,17,20)
InChIKeyKCOGHZLEAXSUOL-UHFFFAOYSA-N
XLogP2.34
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237
2,3,5-trichloro-6-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 112820912
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 71715351
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-sulfanylidenepyran-2-carboxamide
CID 44592482
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide?
The IUPAC name of 2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide (CID 58981626) is 2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide is COc1ccc(CNC(=O)c2c(O)cc(C)cc2O)cc1.
What is the InChIKey of 2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide?
The InChIKey is KCOGHZLEAXSUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-7-13(18)15(14(19)8-10)16(20)17-9-11-3-5-12(21-2)6-4-11/h3-8,18-19H,9H2,1-2H3,(H,17,20).
What are the key properties of 2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide?
2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide has a molecular weight of 287.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 58981626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).