N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide

C16H17NO4 — CID 59933606

IUPACN-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(O)ccc2O)c(C)c1
InChIInChI=1S/C16H17NO4/c1-10-3-6-15(11(2)7-10)21-9-16(20)17-13-8-12(18)4-5-14(13)19/h3-8,18-19H,9H2,1-2H3,(H,17,20)
InChIKeyPKOZWKPHMYBAOT-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.73
Rot. Bonds4

About N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide

N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 59933606) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID59933606
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC NameN-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(O)ccc2O)c(C)c1
InChIInChI=1S/C16H17NO4/c1-10-3-6-15(11(2)7-10)21-9-16(20)17-13-8-12(18)4-5-14(13)19/h3-8,18-19H,9H2,1-2H3,(H,17,20)
InChIKeyPKOZWKPHMYBAOT-UHFFFAOYSA-N
XLogP2.73
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
2-(2,3-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 17380454
2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide
CID 23932880
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 136720872
2-(2,6-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 29249229
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-(6-chloro-4-methyl-3-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide
CID 99638494
N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 16781912
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
methyl 5-bromo-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate
CID 19168737
2-(4-bromo-2-methylphenoxy)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
CID 5117263
2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
CID 891327

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide (CID 59933606) is N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cc(O)ccc2O)c(C)c1.
What is the InChIKey of N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is PKOZWKPHMYBAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-3-6-15(11(2)7-10)21-9-16(20)17-13-8-12(18)4-5-14(13)19/h3-8,18-19H,9H2,1-2H3,(H,17,20).
What are the key properties of N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide?
N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 287.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 59933606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).