N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide

C12H17NO4 — CID 113340015

IUPACN-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C12H17NO4/c1-9-3-4-10(11(14)7-9)13-12(15)8-17-6-5-16-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyPNLMTQMXOIMCIJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.30
Rot. Bonds6

About N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide

N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 113340015) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide
PubChem CID113340015
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C12H17NO4/c1-9-3-4-10(11(14)7-9)13-12(15)8-17-6-5-16-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyPNLMTQMXOIMCIJ-UHFFFAOYSA-N
XLogP1.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 79463499
3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 103208634
N-(4-fluoro-2-iodophenyl)-2-(2-methoxyethoxy)acetamide
CID 103737178
N-(2-hydroxy-4-methylphenyl)-4-(methoxymethyl)benzamide
CID 8638574
N-(2-hydroxy-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 2688141
N-(2-amino-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142
3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid
CID 61277367

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide (CID 113340015) is N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1ccc(C)cc1O.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is PNLMTQMXOIMCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-9-3-4-10(11(14)7-9)13-12(15)8-17-6-5-16-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,13,15).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide?
N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 239.27 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 113340015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).