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

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

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Related Compounds

2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 167952939
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2474016
2-[[2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]acetyl]amino]benzoic acid
CID 166268168
2-[[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26029859
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565661
N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide
CID 120847738
N-(2-benzoylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711533
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea
CID 110874643
ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 2442863
2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide
CID 22196447

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).