[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

C18H20N2O7 — CID 2120540

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NCc2ccco2)c1
InChIInChI=1S/C18H20N2O7/c1-24-14-6-12(7-15(8-14)25-2)18(23)20-10-17(22)27-11-16(21)19-9-13-4-3-5-26-13/h3-8H,9-11H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyLMXZWNDOEQPBJE-UHFFFAOYSA-N
MW376.37 g/mol
LogP0.89
Rot. Bonds9

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 2120540) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID2120540
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NCc2ccco2)c1
InChIInChI=1S/C18H20N2O7/c1-24-14-6-12(7-15(8-14)25-2)18(23)20-10-17(22)27-11-16(21)19-9-13-4-3-5-26-13/h3-8H,9-11H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyLMXZWNDOEQPBJE-UHFFFAOYSA-N
XLogP0.89
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 2120540) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NCc2ccco2)c1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is LMXZWNDOEQPBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7/c1-24-14-6-12(7-15(8-14)25-2)18(23)20-10-17(22)27-11-16(21)19-9-13-4-3-5-26-13/h3-8H,9-11H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 376.37 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2120540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).