N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide

C12H17NO5 — CID 84579085

IUPACN-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(O)c1C(=O)NCC(OC)OC
InChIInChI=1S/C12H17NO5/c1-16-9-6-4-5-8(14)11(9)12(15)13-7-10(17-2)18-3/h4-6,10,14H,7H2,1-3H3,(H,13,15)
InChIKeyFYOFMIMTFZWFLH-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.75
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide

N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide (PubChem CID 84579085) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide
PubChem CID84579085
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC NameN-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(O)c1C(=O)NCC(OC)OC
InChIInChI=1S/C12H17NO5/c1-16-9-6-4-5-8(14)11(9)12(15)13-7-10(17-2)18-3/h4-6,10,14H,7H2,1-3H3,(H,13,15)
InChIKeyFYOFMIMTFZWFLH-UHFFFAOYSA-N
XLogP0.75
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
2-hydroxy-6-methoxy-N-propylbenzamide
CID 84579124
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
CID 60653247
N-(3-bromo-2-methylpropyl)-2,6-dimethoxybenzamide
CID 113275338
N-(2,2-dimethoxyethyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437902
N-(2-hydroxypentyl)-2,6-dimethoxybenzamide
CID 115744628
N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide
CID 103819903
N-(3-formamidopropyl)-2-hydroxy-6-methoxybenzamide
CID 84579023

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide (CID 84579085) is N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide is COc1cccc(O)c1C(=O)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide?
The InChIKey is FYOFMIMTFZWFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-16-9-6-4-5-8(14)11(9)12(15)13-7-10(17-2)18-3/h4-6,10,14H,7H2,1-3H3,(H,13,15).
What are the key properties of N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide?
N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide has a molecular weight of 255.27 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 84579085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).