[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate

C18H19NO6 — CID 2364145

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCC(=O)NCc2ccco2)c(OC)c1
InChIInChI=1S/C18H19NO6/c1-22-14-7-5-13(16(10-14)23-2)6-8-18(21)25-12-17(20)19-11-15-4-3-9-24-15/h3-10H,11-12H2,1-2H3,(H,19,20)/b8-6+
InChIKeyLEOASCHDWVBMDN-SOFGYWHQSA-N
MW345.35 g/mol
LogP2.17
Rot. Bonds8

About [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate (PubChem CID 2364145) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
PubChem CID2364145
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCC(=O)NCc2ccco2)c(OC)c1
InChIInChI=1S/C18H19NO6/c1-22-14-7-5-13(16(10-14)23-2)6-8-18(21)25-12-17(20)19-11-15-4-3-9-24-15/h3-10H,11-12H2,1-2H3,(H,19,20)/b8-6+
InChIKeyLEOASCHDWVBMDN-SOFGYWHQSA-N
XLogP2.17
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate (CID 2364145) is [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)OCC(=O)NCc2ccco2)c(OC)c1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate?
The InChIKey is LEOASCHDWVBMDN-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H19NO6/c1-22-14-7-5-13(16(10-14)23-2)6-8-18(21)25-12-17(20)19-11-15-4-3-9-24-15/h3-10H,11-12H2,1-2H3,(H,19,20)/b8-6+.
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate has a molecular weight of 345.35 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2364145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).