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

C17H15NO7 — CID 4782973

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccco1)OCC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15NO7/c19-12(11-3-4-13-15(8-11)24-7-6-23-13)10-25-16(20)9-18-17(21)14-2-1-5-22-14/h1-5,8H,6-7,9-10H2,(H,18,21)
InChIKeyMTGXGTFPFBIEDC-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.21
Rot. Bonds6

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

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 4782973) has the molecular formula C17H15NO7 and a molecular weight of 345.31 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID4782973
Molecular FormulaC17H15NO7
Molecular Weight345.31 g/mol
Exact Mass345.08
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccco1)OCC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15NO7/c19-12(11-3-4-13-15(8-11)24-7-6-23-13)10-25-16(20)9-18-17(21)14-2-1-5-22-14/h1-5,8H,6-7,9-10H2,(H,18,21)
InChIKeyMTGXGTFPFBIEDC-UHFFFAOYSA-N
XLogP1.21
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573686
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 4789782
[2-(4-nitrophenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 2185288
phenacyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883743
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8841789
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662283
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 6461351
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883000
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734370
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270753
(2-benzamido-2-oxoethyl) 2-(furan-2-carbonylamino)acetate
CID 7879888

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (CID 4782973) is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is MTGXGTFPFBIEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO7/c19-12(11-3-4-13-15(8-11)24-7-6-23-13)10-25-16(20)9-18-17(21)14-2-1-5-22-14/h1-5,8H,6-7,9-10H2,(H,18,21).
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 345.31 g/mol, XLogP of 1.21, 6 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-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 4782973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).