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

C13H19NO5 — CID 55025842

IUPACN-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(OC)OC)c1OC
InChIInChI=1S/C13H19NO5/c1-16-10-7-5-6-9(12(10)19-4)13(15)14-8-11(17-2)18-3/h5-7,11H,8H2,1-4H3,(H,14,15)
InChIKeyGFBMXAWCOVJMOY-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.05
Rot. Bonds7

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

N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide (PubChem CID 55025842) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
PubChem CID55025842
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC NameN-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(OC)OC)c1OC
InChIInChI=1S/C13H19NO5/c1-16-10-7-5-6-9(12(10)19-4)13(15)14-8-11(17-2)18-3/h5-7,11H,8H2,1-4H3,(H,14,15)
InChIKeyGFBMXAWCOVJMOY-UHFFFAOYSA-N
XLogP1.05
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
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-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide
CID 121145514
N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide
CID 107158720
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide
CID 84579085
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
CID 60653247
2,3-dimethoxy-N-[(2S)-2-methyl-3-naphthalen-1-ylpropyl]benzamide
CID 100531776
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide (CID 55025842) is N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC(OC)OC)c1OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide?
The InChIKey is GFBMXAWCOVJMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-16-10-7-5-6-9(12(10)19-4)13(15)14-8-11(17-2)18-3/h5-7,11H,8H2,1-4H3,(H,14,15).
What are the key properties of N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide?
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide has a molecular weight of 269.30 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 55025842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).