N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide

C12H17NO4 — CID 60653247

IUPACN-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
SMILESCOC(CNC(=O)c1cccc(C)c1O)OC
InChIInChI=1S/C12H17NO4/c1-8-5-4-6-9(11(8)14)12(15)13-7-10(16-2)17-3/h4-6,10,14H,7H2,1-3H3,(H,13,15)
InChIKeyHPONMRFLCKKEDQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.05
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide

N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide (PubChem CID 60653247) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
PubChem CID60653247
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
SMILESCOC(CNC(=O)c1cccc(C)c1O)OC
InChIInChI=1S/C12H17NO4/c1-8-5-4-6-9(11(8)14)12(15)13-7-10(16-2)17-3/h4-6,10,14H,7H2,1-3H3,(H,13,15)
InChIKeyHPONMRFLCKKEDQ-UHFFFAOYSA-N
XLogP1.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 106107196
2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
CID 113268457
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
N-(2-cyclopropylpropyl)-2-hydroxy-3-methylbenzamide
CID 115591208
methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide
CID 76952616
N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide
CID 84579085
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
CID 115365600
2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54934799
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-3-methylbenzamide
CID 114309468
N-(3-bromo-4-methoxybutyl)-2-hydroxy-3-methylbenzamide
CID 106245322

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide (CID 60653247) is N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide is COC(CNC(=O)c1cccc(C)c1O)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide?
The InChIKey is HPONMRFLCKKEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8-5-4-6-9(11(8)14)12(15)13-7-10(16-2)17-3/h4-6,10,14H,7H2,1-3H3,(H,13,15).
What are the key properties of N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide?
N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 60653247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).