[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate

C19H17N3O5 — CID 5183286

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate
SMILESO=C(CCn1nnc2ccccc21)OCC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17N3O5/c23-16(13-5-6-17-18(11-13)26-10-9-25-17)12-27-19(24)7-8-22-15-4-2-1-3-14(15)20-21-22/h1-6,11H,7-10,12H2
InChIKeyGXXMAEYNMOAXAI-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.02
Rot. Bonds6

About [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate (PubChem CID 5183286) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate
PubChem CID5183286
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate
SMILESO=C(CCn1nnc2ccccc21)OCC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17N3O5/c23-16(13-5-6-17-18(11-13)26-10-9-25-17)12-27-19(24)7-8-22-15-4-2-1-3-14(15)20-21-22/h1-6,11H,7-10,12H2
InChIKeyGXXMAEYNMOAXAI-UHFFFAOYSA-N
XLogP2.02
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3621863
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8921794
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(benzotriazol-1-yl)acetate
CID 4104850
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] benzoate
CID 2868555
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate
CID 46662046
3-(benzotriazol-1-yl)-1-phenylpropan-1-one
CID 3759222
phenacyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2883034
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203763
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 2883131
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853429
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804354
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212502

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate (CID 5183286) is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate is O=C(CCn1nnc2ccccc21)OCC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate?
The InChIKey is GXXMAEYNMOAXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c23-16(13-5-6-17-18(11-13)26-10-9-25-17)12-27-19(24)7-8-22-15-4-2-1-3-14(15)20-21-22/h1-6,11H,7-10,12H2.
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate?
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate has a molecular weight of 367.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate is sourced from PubChem (CID 5183286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).