[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate

C19H18N2O6 — CID 2352010

IUPAC[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O6/c22-17(20-9-13-6-7-15-16(8-13)27-12-26-15)11-25-18(23)10-21-19(24)14-4-2-1-3-5-14/h1-8H,9-12H2,(H,20,22)(H,21,24)
InChIKeyWGHFYRPUFSDRFW-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.00
Rot. Bonds7

About [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 2352010) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate
PubChem CID2352010
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O6/c22-17(20-9-13-6-7-15-16(8-13)27-12-26-15)11-25-18(23)10-21-19(24)14-4-2-1-3-5-14/h1-8H,9-12H2,(H,20,22)(H,21,24)
InChIKeyWGHFYRPUFSDRFW-UHFFFAOYSA-N
XLogP1.00
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate (CID 2352010) is [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate is O=C(COC(=O)CNC(=O)c1ccccc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is WGHFYRPUFSDRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c22-17(20-9-13-6-7-15-16(8-13)27-12-26-15)11-25-18(23)10-21-19(24)14-4-2-1-3-5-14/h1-8H,9-12H2,(H,20,22)(H,21,24).
What are the key properties of [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate?
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 370.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 2352010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).