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

C18H19NO6 — CID 2364451

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
SMILESCOc1cccc(/C=C/C(=O)OCC(=O)NCc2ccco2)c1OC
InChIInChI=1S/C18H19NO6/c1-22-15-7-3-5-13(18(15)23-2)8-9-17(21)25-12-16(20)19-11-14-6-4-10-24-14/h3-10H,11-12H2,1-2H3,(H,19,20)/b9-8+
InChIKeyLQRHEOKNIQDOLI-CMDGGOBGSA-N
MW345.35 g/mol
LogP2.17
Rot. Bonds8

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

[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate (PubChem CID 2364451) 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-(2,3-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
PubChem CID2364451
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
SMILESCOc1cccc(/C=C/C(=O)OCC(=O)NCc2ccco2)c1OC
InChIInChI=1S/C18H19NO6/c1-22-15-7-3-5-13(18(15)23-2)8-9-17(21)25-12-16(20)19-11-14-6-4-10-24-14/h3-10H,11-12H2,1-2H3,(H,19,20)/b9-8+
InChIKeyLQRHEOKNIQDOLI-CMDGGOBGSA-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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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 725650
N-benzylfuran-2-carboxamide
CID 347531
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
5-[(2-methoxy-4-propylphenoxy)methyl]-N-propyl-2-furamide
CID 2166253
5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)-2-furamide
CID 2942268
5-[(3,5-dimethylphenoxy)methyl]-N-(2-oxotetrahydrofuran-3-yl)-2-furamide
CID 6618802
7-methoxy-N-(2-morpholinoethyl)benzofuran-2-carboxamide
CID 6472686
3-(3,4-Dimethoxyphenyl)-3-[(furan-2-carbonyl)-amino]propionic acid
CID 645152
Ethyl 2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
CID 4170858
Furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148134
(2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 674786
N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 703899

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate (CID 2364451) is [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate is COc1cccc(/C=C/C(=O)OCC(=O)NCc2ccco2)c1OC.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate?
The InChIKey is LQRHEOKNIQDOLI-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H19NO6/c1-22-15-7-3-5-13(18(15)23-2)8-9-17(21)25-12-16(20)19-11-14-6-4-10-24-14/h3-10H,11-12H2,1-2H3,(H,19,20)/b9-8+.
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-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-(2,3-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2364451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).