N-(2,2-dimethoxyethyl)-3-hydroxybenzamide

C11H15NO4 — CID 60653076

IUPACN-(2,2-dimethoxyethyl)-3-hydroxybenzamide
SMILESCOC(CNC(=O)c1cccc(O)c1)OC
InChIInChI=1S/C11H15NO4/c1-15-10(16-2)7-12-11(14)8-4-3-5-9(13)6-8/h3-6,10,13H,7H2,1-2H3,(H,12,14)
InChIKeyHCRGDPQFHDOEEA-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.74
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-3-hydroxybenzamide

N-(2,2-dimethoxyethyl)-3-hydroxybenzamide (PubChem CID 60653076) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-hydroxybenzamide
PubChem CID60653076
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-(2,2-dimethoxyethyl)-3-hydroxybenzamide
SMILESCOC(CNC(=O)c1cccc(O)c1)OC
InChIInChI=1S/C11H15NO4/c1-15-10(16-2)7-12-11(14)8-4-3-5-9(13)6-8/h3-6,10,13H,7H2,1-2H3,(H,12,14)
InChIKeyHCRGDPQFHDOEEA-UHFFFAOYSA-N
XLogP0.74
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.74
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-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486080
3-hydroxy-N-(2-hydroxybutyl)benzamide
CID 115577642
methyl 2-[(3-hydroxybenzoyl)amino]acetate
CID 578046
N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide
CID 114313254
N-ethyl-3-hydroxybenzamide
CID 13175248
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide
CID 114168739
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
CID 55025954
N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide
CID 84579085
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-hydroxybenzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-hydroxybenzamide (CID 60653076) is N-(2,2-dimethoxyethyl)-3-hydroxybenzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-hydroxybenzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-hydroxybenzamide is COC(CNC(=O)c1cccc(O)c1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-hydroxybenzamide?
The InChIKey is HCRGDPQFHDOEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-10(16-2)7-12-11(14)8-4-3-5-9(13)6-8/h3-6,10,13H,7H2,1-2H3,(H,12,14).
What are the key properties of N-(2,2-dimethoxyethyl)-3-hydroxybenzamide?
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide has a molecular weight of 225.24 g/mol, XLogP of 0.74, 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)-3-hydroxybenzamide is sourced from PubChem (CID 60653076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).