5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid

C14H17NO6 — CID 22301249

IUPAC5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid
SMILESCCOCC(=O)Nc1cc(C(=O)O)c(C)c(C(=O)O)c1C
InChIInChI=1S/C14H17NO6/c1-4-21-6-11(16)15-10-5-9(13(17)18)7(2)12(8(10)3)14(19)20/h5H,4,6H2,1-3H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyNVAQGYSNDDYHKN-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.67
Rot. Bonds6

About 5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid

5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid (PubChem CID 22301249) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid
PubChem CID22301249
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid
SMILESCCOCC(=O)Nc1cc(C(=O)O)c(C)c(C(=O)O)c1C
InChIInChI=1S/C14H17NO6/c1-4-21-6-11(16)15-10-5-9(13(17)18)7(2)12(8(10)3)14(19)20/h5H,4,6H2,1-3H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyNVAQGYSNDDYHKN-UHFFFAOYSA-N
XLogP1.67
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzoic acid
CID 55176727
5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid
CID 28777069
4,5-diacetamido-2-methylbenzene-1,3-dicarboxylic acid
CID 150581493
N-(5-acetamido-2-methylphenyl)-2-ethoxyacetamide
CID 61216429
N-(5-amino-2-bromo-4-methylphenyl)-2-ethoxyacetamide
CID 104814501
3-[[2-(carboxymethoxy)acetyl]amino]-2-methylbenzoic acid
CID 61327665
4,5-dimethoxy-2-[(2-propoxyacetyl)amino]benzoic acid
CID 107937657
methyl 5-chloro-2-[(2-ethoxyacetyl)amino]benzoate
CID 11425737
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
5-[[2-(2-aminoethoxy)acetyl]amino]-2,4-difluorobenzoic acid
CID 79472946
2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646149
3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide
CID 60785607

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid (CID 22301249) is 5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid is CCOCC(=O)Nc1cc(C(=O)O)c(C)c(C(=O)O)c1C.
What is the InChIKey of 5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid?
The InChIKey is NVAQGYSNDDYHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-4-21-6-11(16)15-10-5-9(13(17)18)7(2)12(8(10)3)14(19)20/h5H,4,6H2,1-3H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid?
5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyacetyl)amino]-2,4-dimethylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 22301249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).