N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide

C21H23NO4 — CID 11824365

IUPACN-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
SMILESCOc1ccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)cc1
InChIInChI=1S/C21H23NO4/c1-14(23)22-11-10-18-19-13-17(25-3)8-9-20(19)26-21(18)12-15-4-6-16(24-2)7-5-15/h4-9,13H,10-12H2,1-3H3,(H,22,23)
InChIKeyOYSSILXTMOYKFA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.72
Rot. Bonds7

About N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide

N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide (PubChem CID 11824365) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
PubChem CID11824365
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
SMILESCOc1ccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)cc1
InChIInChI=1S/C21H23NO4/c1-14(23)22-11-10-18-19-13-17(25-3)8-9-20(19)26-21(18)12-15-4-6-16(24-2)7-5-15/h4-9,13H,10-12H2,1-3H3,(H,22,23)
InChIKeyOYSSILXTMOYKFA-UHFFFAOYSA-N
XLogP3.72
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)benzofuran-3-carboxamide
CID 122644519
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide (CID 11824365) is N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide is COc1ccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)cc1.
What is the InChIKey of N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide?
The InChIKey is OYSSILXTMOYKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14(23)22-11-10-18-19-13-17(25-3)8-9-20(19)26-21(18)12-15-4-6-16(24-2)7-5-15/h4-9,13H,10-12H2,1-3H3,(H,22,23).
What are the key properties of N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide?
N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide is sourced from PubChem (CID 11824365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).