N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide

C17H19NO3 — CID 652031

IUPACN-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(C)c(C)cc2O)c1
InChIInChI=1S/C17H19NO3/c1-11-5-4-6-14(7-11)21-10-17(20)18-15-8-12(2)13(3)9-16(15)19/h4-9,19H,10H2,1-3H3,(H,18,20)
InChIKeyXSQGEWWAHMOYLD-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.33
Rot. Bonds4

About N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide

N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide (PubChem CID 652031) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide
PubChem CID652031
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(C)c(C)cc2O)c1
InChIInChI=1S/C17H19NO3/c1-11-5-4-6-14(7-11)21-10-17(20)18-15-8-12(2)13(3)9-16(15)19/h4-9,19H,10H2,1-3H3,(H,18,20)
InChIKeyXSQGEWWAHMOYLD-UHFFFAOYSA-N
XLogP3.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide (CID 652031) is N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(C)c(C)cc2O)c1.
What is the InChIKey of N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide?
The InChIKey is XSQGEWWAHMOYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-5-4-6-14(7-11)21-10-17(20)18-15-8-12(2)13(3)9-16(15)19/h4-9,19H,10H2,1-3H3,(H,18,20).
What are the key properties of N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide?
N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide has a molecular weight of 285.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,5-dimethylphenyl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 652031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).