2,4,6-triacetamidobenzoic acid

C13H15N3O5 — CID 155677349

IUPAC2,4,6-triacetamidobenzoic acid
SMILESCC(=O)Nc1cc(NC(C)=O)c(C(=O)O)c(NC(C)=O)c1
InChIInChI=1S/C13H15N3O5/c1-6(17)14-9-4-10(15-7(2)18)12(13(20)21)11(5-9)16-8(3)19/h4-5H,1-3H3,(H,14,17)(H,15,18)(H,16,19)(H,20,21)
InChIKeyJZUSQPTXELLVCD-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.26
Rot. Bonds4

About 2,4,6-triacetamidobenzoic acid

2,4,6-triacetamidobenzoic acid (PubChem CID 155677349) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2,4,6-triacetamidobenzoic acid.

Molecular Properties

Compound Name2,4,6-triacetamidobenzoic acid
PubChem CID155677349
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name2,4,6-triacetamidobenzoic acid
SMILESCC(=O)Nc1cc(NC(C)=O)c(C(=O)O)c(NC(C)=O)c1
InChIInChI=1S/C13H15N3O5/c1-6(17)14-9-4-10(15-7(2)18)12(13(20)21)11(5-9)16-8(3)19/h4-5H,1-3H3,(H,14,17)(H,15,18)(H,16,19)(H,20,21)
InChIKeyJZUSQPTXELLVCD-UHFFFAOYSA-N
XLogP1.26
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-diacetamidophenyl)acetamide
CID 12731559
3,5-diacetamido-2-bromobenzoic acid
CID 142675642
4-acetamido-2-hydrazinylbenzoic acid
CID 163448849
4,5-diacetamido-2-methylbenzene-1,3-dicarboxylic acid
CID 150581493
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
2-acetamido-6-methylbenzoic acid
CID 2801400
3-acetamido-5-tert-butylbenzoic acid
CID 59551438
3,4-diacetamidobenzoic acid
CID 2735923
2-acetamido-4,5-dihydroxybenzoic acid
CID 19386799
N-(2,3,4,5-tetramethylphenyl)acetamide
CID 54490294
N-(2,6-diacetamido-4-pyridinyl)acetamide
CID 69088952
3,5-diacetamido-2-tert-butylbenzamide
CID 23225863

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triacetamidobenzoic acid?
The IUPAC name of 2,4,6-triacetamidobenzoic acid (CID 155677349) is 2,4,6-triacetamidobenzoic acid.
What is the SMILES notation for 2,4,6-triacetamidobenzoic acid?
The canonical SMILES for 2,4,6-triacetamidobenzoic acid is CC(=O)Nc1cc(NC(C)=O)c(C(=O)O)c(NC(C)=O)c1.
What is the InChIKey of 2,4,6-triacetamidobenzoic acid?
The InChIKey is JZUSQPTXELLVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-6(17)14-9-4-10(15-7(2)18)12(13(20)21)11(5-9)16-8(3)19/h4-5H,1-3H3,(H,14,17)(H,15,18)(H,16,19)(H,20,21).
What are the key properties of 2,4,6-triacetamidobenzoic acid?
2,4,6-triacetamidobenzoic acid has a molecular weight of 293.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triacetamidobenzoic acid is sourced from PubChem (CID 155677349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).