[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate

C17H19NO7 — CID 2115705

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C17H19NO7/c1-21-13-7-11(8-14(22-2)16(13)23-3)17(20)25-10-15(19)18-9-12-5-4-6-24-12/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyVLJRBVOASYXOAA-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.78
Rot. Bonds8

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate (PubChem CID 2115705) has the molecular formula C17H19NO7 and a molecular weight of 349.34 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
PubChem CID2115705
Molecular FormulaC17H19NO7
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C17H19NO7/c1-21-13-7-11(8-14(22-2)16(13)23-3)17(20)25-10-15(19)18-9-12-5-4-6-24-12/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyVLJRBVOASYXOAA-UHFFFAOYSA-N
XLogP1.78
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate (CID 2115705) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate is COc1cc(C(=O)OCC(=O)NCc2ccco2)cc(OC)c1OC.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The InChIKey is VLJRBVOASYXOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO7/c1-21-13-7-11(8-14(22-2)16(13)23-3)17(20)25-10-15(19)18-9-12-5-4-6-24-12/h4-8H,9-10H2,1-3H3,(H,18,19).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate has a molecular weight of 349.34 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 2115705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).