[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

C20H19NO7 — CID 5237384

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H19NO7/c1-25-15-5-2-13(3-6-15)20(24)21-11-19(23)28-12-16(22)14-4-7-17-18(10-14)27-9-8-26-17/h2-7,10H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyCDFZCDPBBNYZRM-UHFFFAOYSA-N
MW385.37 g/mol
LogP1.62
Rot. Bonds7

About [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 5237384) has the molecular formula C20H19NO7 and a molecular weight of 385.37 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID5237384
Molecular FormulaC20H19NO7
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H19NO7/c1-25-15-5-2-13(3-6-15)20(24)21-11-19(23)28-12-16(22)14-4-7-17-18(10-14)27-9-8-26-17/h2-7,10H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyCDFZCDPBBNYZRM-UHFFFAOYSA-N
XLogP1.62
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (CID 5237384) is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is CDFZCDPBBNYZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO7/c1-25-15-5-2-13(3-6-15)20(24)21-11-19(23)28-12-16(22)14-4-7-17-18(10-14)27-9-8-26-17/h2-7,10H,8-9,11-12H2,1H3,(H,21,24).
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 385.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 5237384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).