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

C22H25NO3 — CID 11078652

IUPACN-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
SMILESCCc1ccc2oc(Cc3cccc(OC)c3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C22H25NO3/c1-4-16-8-9-21-20(13-16)19(10-11-23-15(2)24)22(26-21)14-17-6-5-7-18(12-17)25-3/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,23,24)
InChIKeyXAAPVWYAMTXQIO-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.27
Rot. Bonds7

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

N-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide (PubChem CID 11078652) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
PubChem CID11078652
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC NameN-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
SMILESCCc1ccc2oc(Cc3cccc(OC)c3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C22H25NO3/c1-4-16-8-9-21-20(13-16)19(10-11-23-15(2)24)22(26-21)14-17-6-5-7-18(12-17)25-3/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,23,24)
InChIKeyXAAPVWYAMTXQIO-UHFFFAOYSA-N
XLogP4.27
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide (CID 11078652) is N-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide is CCc1ccc2oc(Cc3cccc(OC)c3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide?
The InChIKey is XAAPVWYAMTXQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-4-16-8-9-21-20(13-16)19(10-11-23-15(2)24)22(26-21)14-17-6-5-7-18(12-17)25-3/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,23,24).
What are the key properties of N-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide?
N-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide is sourced from PubChem (CID 11078652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).