2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide

C16H17NO4 — CID 71715351

IUPAC2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2cc(O)ccc2O)cc1
InChIInChI=1S/C16H17NO4/c1-21-14-5-2-11(3-6-14)10-17-16(20)9-12-8-13(18)4-7-15(12)19/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChIKeyAMTFADZVXUZHBQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.97
Rot. Bonds5

About 2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 71715351) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID71715351
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2cc(O)ccc2O)cc1
InChIInChI=1S/C16H17NO4/c1-21-14-5-2-11(3-6-14)10-17-16(20)9-12-8-13(18)4-7-15(12)19/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChIKeyAMTFADZVXUZHBQ-UHFFFAOYSA-N
XLogP1.97
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 58981626
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 71715351) is 2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cc2cc(O)ccc2O)cc1.
What is the InChIKey of 2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is AMTFADZVXUZHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-21-14-5-2-11(3-6-14)10-17-16(20)9-12-8-13(18)4-7-15(12)19/h2-8,18-19H,9-10H2,1H3,(H,17,20).
What are the key properties of 2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 287.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 71715351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).