3,4,5-tris(methoxymethyl)benzamide

C13H19NO4 — CID 91191156

IUPAC3,4,5-tris(methoxymethyl)benzamide
SMILESCOCc1cc(C(N)=O)cc(COC)c1COC
InChIInChI=1S/C13H19NO4/c1-16-6-10-4-9(13(14)15)5-11(7-17-2)12(10)8-18-3/h4-5H,6-8H2,1-3H3,(H2,14,15)
InChIKeyVNYBWPRATHHUNZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.22
Rot. Bonds7

About 3,4,5-tris(methoxymethyl)benzamide

3,4,5-tris(methoxymethyl)benzamide (PubChem CID 91191156) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3,4,5-tris(methoxymethyl)benzamide.

Molecular Properties

Compound Name3,4,5-tris(methoxymethyl)benzamide
PubChem CID91191156
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3,4,5-tris(methoxymethyl)benzamide
SMILESCOCc1cc(C(N)=O)cc(COC)c1COC
InChIInChI=1S/C13H19NO4/c1-16-6-10-4-9(13(14)15)5-11(7-17-2)12(10)8-18-3/h4-5H,6-8H2,1-3H3,(H2,14,15)
InChIKeyVNYBWPRATHHUNZ-UHFFFAOYSA-N
XLogP1.22
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,4,5-trihydroxybenzoate;methyl 3,4,5-tris(methoxymethyl)benzoate
CID 175749351
2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone
CID 117306250
dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate
CID 11390757
2-[2-(methoxymethyl)phenyl]benzamide
CID 130398791
4-bromo-3-(methoxymethyl)benzoic acid
CID 19771229
6-(methoxymethyl)pyridine-3-carboxamide
CID 23130505
ethane;methyl 4-cyano-3-(methoxymethyl)benzoate
CID 144882044
4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
CID 114480071
1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone
CID 88656859
methyl 4-bromo-3-(methoxymethyl)benzoate
CID 58554220
ethane;3-(methoxymethyl)-4-methylbenzoyl chloride
CID 143136390
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117321933

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(methoxymethyl)benzamide?
The IUPAC name of 3,4,5-tris(methoxymethyl)benzamide (CID 91191156) is 3,4,5-tris(methoxymethyl)benzamide.
What is the SMILES notation for 3,4,5-tris(methoxymethyl)benzamide?
The canonical SMILES for 3,4,5-tris(methoxymethyl)benzamide is COCc1cc(C(N)=O)cc(COC)c1COC.
What is the InChIKey of 3,4,5-tris(methoxymethyl)benzamide?
The InChIKey is VNYBWPRATHHUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-16-6-10-4-9(13(14)15)5-11(7-17-2)12(10)8-18-3/h4-5H,6-8H2,1-3H3,(H2,14,15).
What are the key properties of 3,4,5-tris(methoxymethyl)benzamide?
3,4,5-tris(methoxymethyl)benzamide has a molecular weight of 253.30 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(methoxymethyl)benzamide is sourced from PubChem (CID 91191156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).