[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate

C19H18N2O6 — CID 4797469

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N2O6/c22-17(21-14-6-7-15-16(10-14)26-9-8-25-15)12-27-18(23)11-20-19(24)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,20,24)(H,21,22)
InChIKeyRRCZYJHNOHVDAF-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.37
Rot. Bonds6

About [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate

[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 4797469) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate
PubChem CID4797469
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N2O6/c22-17(21-14-6-7-15-16(10-14)26-9-8-25-15)12-27-18(23)11-20-19(24)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,20,24)(H,21,22)
InChIKeyRRCZYJHNOHVDAF-UHFFFAOYSA-N
XLogP1.37
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide
CID 6460389
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363624
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523990
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191501
[2-(4-chloroanilino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883658
[2-(3-methylanilino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883533
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-phenoxybenzoate
CID 2503162
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8655257
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 2581774
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355001

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate (CID 4797469) is [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate is O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is RRCZYJHNOHVDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c22-17(21-14-6-7-15-16(10-14)26-9-8-25-15)12-27-18(23)11-20-19(24)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,20,24)(H,21,22).
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate?
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 370.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 4797469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).