[2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

C17H18N2O7 — CID 2562361

IUPAC[2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCNC(=O)COC(=O)c1cc(NC(=O)c2ccco2)c(OC)c(OC)c1
InChIInChI=1S/C17H18N2O7/c1-18-14(20)9-26-17(22)10-7-11(15(24-3)13(8-10)23-2)19-16(21)12-5-4-6-25-12/h4-8H,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYCCZLZZXLVOPOF-UHFFFAOYSA-N
MW362.34 g/mol
LogP1.45
Rot. Bonds7

About [2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

[2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (PubChem CID 2562361) has the molecular formula C17H18N2O7 and a molecular weight of 362.34 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
PubChem CID2562361
Molecular FormulaC17H18N2O7
Molecular Weight362.34 g/mol
Exact Mass362.11
IUPAC Name[2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCNC(=O)COC(=O)c1cc(NC(=O)c2ccco2)c(OC)c(OC)c1
InChIInChI=1S/C17H18N2O7/c1-18-14(20)9-26-17(22)10-7-11(15(24-3)13(8-10)23-2)19-16(21)12-5-4-6-25-12/h4-8H,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYCCZLZZXLVOPOF-UHFFFAOYSA-N
XLogP1.45
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (CID 2562361) is [2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is CNC(=O)COC(=O)c1cc(NC(=O)c2ccco2)c(OC)c(OC)c1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The InChIKey is YCCZLZZXLVOPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O7/c1-18-14(20)9-26-17(22)10-7-11(15(24-3)13(8-10)23-2)19-16(21)12-5-4-6-25-12/h4-8H,9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of [2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
[2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate has a molecular weight of 362.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 2562361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).