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

C21H23NO4 — CID 11824364

IUPACN-[2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
SMILESCOc1ccc2oc(Cc3ccccc3OC)c(CCNC(C)=O)c2c1
InChIInChI=1S/C21H23NO4/c1-14(23)22-11-10-17-18-13-16(24-2)8-9-20(18)26-21(17)12-15-6-4-5-7-19(15)25-3/h4-9,13H,10-12H2,1-3H3,(H,22,23)
InChIKeyUUCZUAXLGXFIDX-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.72
Rot. Bonds7

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

N-[2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide (PubChem CID 11824364) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
PubChem CID11824364
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-[2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
SMILESCOc1ccc2oc(Cc3ccccc3OC)c(CCNC(C)=O)c2c1
InChIInChI=1S/C21H23NO4/c1-14(23)22-11-10-17-18-13-16(24-2)8-9-20(18)26-21(17)12-15-6-4-5-7-19(15)25-3/h4-9,13H,10-12H2,1-3H3,(H,22,23)
InChIKeyUUCZUAXLGXFIDX-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide (CID 11824364) is N-[2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide is COc1ccc2oc(Cc3ccccc3OC)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide?
The InChIKey is UUCZUAXLGXFIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14(23)22-11-10-17-18-13-16(24-2)8-9-20(18)26-21(17)12-15-6-4-5-7-19(15)25-3/h4-9,13H,10-12H2,1-3H3,(H,22,23).
What are the key properties of N-[2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide?
N-[2-[5-methoxy-2-[(2-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-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide is sourced from PubChem (CID 11824364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).