5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid

C17H15NO7 — CID 880340

IUPAC5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
SMILESCOc1ccccc1OCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C17H15NO7/c1-24-13-4-2-3-5-14(13)25-9-15(19)18-12-7-10(16(20)21)6-11(8-12)17(22)23/h2-8H,9H2,1H3,(H,18,19)(H,20,21)(H,22,23)
InChIKeyDTXIBNSMQBFNLR-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.11
Rot. Bonds7

About 5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid

5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid (PubChem CID 880340) has the molecular formula C17H15NO7 and a molecular weight of 345.31 g/mol. Its IUPAC name is 5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
PubChem CID880340
Molecular FormulaC17H15NO7
Molecular Weight345.31 g/mol
Exact Mass345.08
IUPAC Name5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
SMILESCOc1ccccc1OCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C17H15NO7/c1-24-13-4-2-3-5-14(13)25-9-15(19)18-12-7-10(16(20)21)6-11(8-12)17(22)23/h2-8H,9H2,1H3,(H,18,19)(H,20,21)(H,22,23)
InChIKeyDTXIBNSMQBFNLR-UHFFFAOYSA-N
XLogP2.11
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3,5-bis[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 2901481
N-tert-butyl-3-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 9323551
N-(4-amino-3,5-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 51193233
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 121063227
N-(2-tert-butyl-4-pyridinyl)-2-(2-methoxyphenoxy)acetamide
CID 110443287
N-[4-(4-acetylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112988234
2-(2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 2677021
dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 7867251
N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-methylbenzamide
CID 17252265
4-[2-(2-fluoroanilino)-2-oxoethoxy]-3,5-dimethoxybenzoic acid
CID 99989728
N-[4-(N-ethylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112986562

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid (CID 880340) is 5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid is COc1ccccc1OCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid?
The InChIKey is DTXIBNSMQBFNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO7/c1-24-13-4-2-3-5-14(13)25-9-15(19)18-12-7-10(16(20)21)6-11(8-12)17(22)23/h2-8H,9H2,1H3,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid?
5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid has a molecular weight of 345.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 880340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).