2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid

C19H20N2O4 — CID 166268160

IUPAC2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid
SMILESCN(CC(=O)Nc1ccccc1C(=O)O)Cc1cccc2c1OCC2
InChIInChI=1S/C19H20N2O4/c1-21(11-14-6-4-5-13-9-10-25-18(13)14)12-17(22)20-16-8-3-2-7-15(16)19(23)24/h2-8H,9-12H2,1H3,(H,20,22)(H,23,24)
InChIKeyQUFFHFZTOYOOQK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.39
Rot. Bonds6

About 2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid

2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid (PubChem CID 166268160) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid
PubChem CID166268160
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid
SMILESCN(CC(=O)Nc1ccccc1C(=O)O)Cc1cccc2c1OCC2
InChIInChI=1S/C19H20N2O4/c1-21(11-14-6-4-5-13-9-10-25-18(13)14)12-17(22)20-16-8-3-2-7-15(16)19(23)24/h2-8H,9-12H2,1H3,(H,20,22)(H,23,24)
InChIKeyQUFFHFZTOYOOQK-UHFFFAOYSA-N
XLogP2.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid (CID 166268160) is 2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid is CN(CC(=O)Nc1ccccc1C(=O)O)Cc1cccc2c1OCC2.
What is the InChIKey of 2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid?
The InChIKey is QUFFHFZTOYOOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21(11-14-6-4-5-13-9-10-25-18(13)14)12-17(22)20-16-8-3-2-7-15(16)19(23)24/h2-8H,9-12H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid?
2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid is sourced from PubChem (CID 166268160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).