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

C21H21NO3 — CID 10925712

IUPACN-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide
SMILESC=CCC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C21H21NO3/c1-3-7-20(23)22-13-12-17-18-14-16(24-2)10-11-19(18)25-21(17)15-8-5-4-6-9-15/h3-6,8-11,14H,1,7,12-13H2,2H3,(H,22,23)
InChIKeyWBRCKMGTHHHOCG-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.34
Rot. Bonds7

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

N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide (PubChem CID 10925712) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide
PubChem CID10925712
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide
SMILESC=CCC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C21H21NO3/c1-3-7-20(23)22-13-12-17-18-14-16(24-2)10-11-19(18)25-21(17)15-8-5-4-6-9-15/h3-6,8-11,14H,1,7,12-13H2,2H3,(H,22,23)
InChIKeyWBRCKMGTHHHOCG-UHFFFAOYSA-N
XLogP4.34
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.34
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

S24014
CID 9998187
N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide
CID 10059864
5-Methoxy-N,N-dimethyl-3-benzofuranethanamine
CID 126589
2-Benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol
CID 657581
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]acetamide
CID 9834952
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acetamide
CID 9839629
N-[2-(7-{4-[3-(2-acetylaminoethyl)benzofuran-5-yloxy]butoxy}naphthalen-1-yl)ethyl]-acetamide
CID 9870683
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acrylamide
CID 9884156
N-{2-[2-(3-Fluoro-benzyl)-5-methoxy-benzofuran-3-yl]-ethyl}-acetamide
CID 9884406
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acetamide
CID 9927219
But-3-enoic acid [2-(2-benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-amide
CID 10926138
N-{2-[2-(3-Chloro-benzyl)-5-methoxy-benzofuran-3-yl]-ethyl}-acetamide
CID 11002840

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide?
The IUPAC name of N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide (CID 10925712) is N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide.
What is the SMILES notation for N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide?
The canonical SMILES for N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide is C=CCC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12.
What is the InChIKey of N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide?
The InChIKey is WBRCKMGTHHHOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-3-7-20(23)22-13-12-17-18-14-16(24-2)10-11-19(18)25-21(17)15-8-5-4-6-9-15/h3-6,8-11,14H,1,7,12-13H2,2H3,(H,22,23).
What are the key properties of N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide?
N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-3-enamide has a molecular weight of 335.40 g/mol, XLogP of 4.34, 7 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]but-3-enamide is sourced from PubChem (CID 10925712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).