N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide

C20H19NO3 — CID 11723593

IUPACN-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C20H19NO3/c1-3-19(22)21-12-11-16-17-13-15(23-2)9-10-18(17)24-20(16)14-7-5-4-6-8-14/h3-10,13H,1,11-12H2,2H3,(H,21,22)
InChIKeyFVBIXCGTVBRGCA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.95
Rot. Bonds6

About N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide

N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide (PubChem CID 11723593) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide
PubChem CID11723593
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C20H19NO3/c1-3-19(22)21-12-11-16-17-13-15(23-2)9-10-18(17)24-20(16)14-7-5-4-6-8-14/h3-10,13H,1,11-12H2,2H3,(H,21,22)
InChIKeyFVBIXCGTVBRGCA-UHFFFAOYSA-N
XLogP3.95
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide (CID 11723593) is N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide is C=CC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12.
What is the InChIKey of N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide?
The InChIKey is FVBIXCGTVBRGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-19(22)21-12-11-16-17-13-15(23-2)9-10-18(17)24-20(16)14-7-5-4-6-8-14/h3-10,13H,1,11-12H2,2H3,(H,21,22).
What are the key properties of N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide?
N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 11723593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).