N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide

C22H23NO3 — CID 10926138

IUPACN-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide
SMILESC=CCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C22H23NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h3-6,8-11,15H,1,7,12-14H2,2H3,(H,23,24)
InChIKeyXMTSESOIXWPAFE-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.27
Rot. Bonds8

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

N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide (PubChem CID 10926138) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide
PubChem CID10926138
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide
SMILESC=CCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C22H23NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h3-6,8-11,15H,1,7,12-14H2,2H3,(H,23,24)
InChIKeyXMTSESOIXWPAFE-UHFFFAOYSA-N
XLogP4.27
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10882307
2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
CID 11023552
N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide
CID 22131201
1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10925379
2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
CID 11121585
[3-(2-acetamidoethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-5-yl] trifluoromethanesulfonate
CID 18360722
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8852194
2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride
CID 11759809
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
[2-oxo-2-(2-phenoxyethylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8522616
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8860463

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide?
The IUPAC name of N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide (CID 10926138) is N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide.
What is the SMILES notation for N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide?
The canonical SMILES for N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide is C=CCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12.
What is the InChIKey of N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide?
The InChIKey is XMTSESOIXWPAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h3-6,8-11,15H,1,7,12-14H2,2H3,(H,23,24).
What are the key properties of N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide?
N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide has a molecular weight of 349.43 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide is sourced from PubChem (CID 10926138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).