[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate

C25H21NO6 — CID 2092479

IUPAC[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C25H21NO6/c1-29-17-10-7-16(8-11-17)9-12-25(28)31-15-24(27)26-20-14-22-19(13-23(20)30-2)18-5-3-4-6-21(18)32-22/h3-14H,15H2,1-2H3,(H,26,27)/b12-9+
InChIKeyDQPCCUNCVJSDBY-FMIVXFBMSA-N
MW431.44 g/mol
LogP4.80
Rot. Bonds7

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 2092479) has the molecular formula C25H21NO6 and a molecular weight of 431.44 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID2092479
Molecular FormulaC25H21NO6
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C25H21NO6/c1-29-17-10-7-16(8-11-17)9-12-25(28)31-15-24(27)26-20-14-22-19(13-23(20)30-2)18-5-3-4-6-21(18)32-22/h3-14H,15H2,1-2H3,(H,26,27)/b12-9+
InChIKeyDQPCCUNCVJSDBY-FMIVXFBMSA-N
XLogP4.80
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate with MolForge

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Related Compounds

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
N-(2-methoxydibenzofuran-3-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705451
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893725
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7774259
methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate
CID 7695279
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2437991
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833842
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612861
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(4-ethoxyphenyl)prop-2-enoate
CID 71953264
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861566

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate (CID 2092479) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1.
What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is DQPCCUNCVJSDBY-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H21NO6/c1-29-17-10-7-16(8-11-17)9-12-25(28)31-15-24(27)26-20-14-22-19(13-23(20)30-2)18-5-3-4-6-21(18)32-22/h3-14H,15H2,1-2H3,(H,26,27)/b12-9+.
What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate?
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 431.44 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2092479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).