2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid

C19H19NO6 — CID 119255550

IUPAC2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H19NO6/c21-18(22)12-26-15-4-1-13(2-5-15)7-8-20-19(23)14-3-6-16-17(11-14)25-10-9-24-16/h1-6,11H,7-10,12H2,(H,20,23)(H,21,22)
InChIKeyCHSJDMCLHSHXDP-UHFFFAOYSA-N
MW357.36 g/mol
LogP1.89
Rot. Bonds7

About 2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid

2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid (PubChem CID 119255550) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid
PubChem CID119255550
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H19NO6/c21-18(22)12-26-15-4-1-13(2-5-15)7-8-20-19(23)14-3-6-16-17(11-14)25-10-9-24-16/h1-6,11H,7-10,12H2,(H,20,23)(H,21,22)
InChIKeyCHSJDMCLHSHXDP-UHFFFAOYSA-N
XLogP1.89
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid with MolForge

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Related Compounds

N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 7761229
N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-fluorobenzamide
CID 2677541
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125754
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-fluoro-4-methylbenzamide
CID 17450089
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125752
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 16596470
N'-[2-(4-phenylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2094448
2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528988
N-[2-(4-butoxyphenyl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55752152
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid (CID 119255550) is 2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid is O=C(O)COc1ccc(CCNC(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid?
The InChIKey is CHSJDMCLHSHXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c21-18(22)12-26-15-4-1-13(2-5-15)7-8-20-19(23)14-3-6-16-17(11-14)25-10-9-24-16/h1-6,11H,7-10,12H2,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid?
2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid has a molecular weight of 357.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).