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

C21H21NO3 — CID 11110447

IUPAC(E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide
SMILESC/C=C/C(=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/h3-11,14H,12-13H2,1-2H3,(H,22,23)/b7-3+
InChIKeyLTFBHJRCRFWNSK-XVNBXDOJSA-N
MW335.40 g/mol
LogP4.34
Rot. Bonds6

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

(E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide (PubChem CID 11110447) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide
PubChem CID11110447
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide
SMILESC/C=C/C(=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/h3-11,14H,12-13H2,1-2H3,(H,22,23)/b7-3+
InChIKeyLTFBHJRCRFWNSK-XVNBXDOJSA-N
XLogP4.34
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Michael_acceptor_1', '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
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-(5-methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-amide
CID 10925712
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 (E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide (CID 11110447) is (E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide is C/C=C/C(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12.
What is the InChIKey of (E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide?
The InChIKey is LTFBHJRCRFWNSK-XVNBXDOJSA-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/h3-11,14H,12-13H2,1-2H3,(H,22,23)/b7-3+.
What are the key properties of (E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide?
(E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide has a molecular weight of 335.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]but-2-enamide is sourced from PubChem (CID 11110447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).