1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone

C26H29NO5 — CID 68708739

IUPAC1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone
SMILESCC(=O)c1c(OCCN2CCOCC2)c(OCC=Cc2ccccc2)c2occc2c1C
InChIInChI=1S/C26H29NO5/c1-19-22-10-15-31-24(22)26(30-14-6-9-21-7-4-3-5-8-21)25(23(19)20(2)28)32-18-13-27-11-16-29-17-12-27/h3-10,15H,11-14,16-18H2,1-2H3
InChIKeyNJNINYHVEYCVRD-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.75
Rot. Bonds9

About 1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone

1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone (PubChem CID 68708739) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone
PubChem CID68708739
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Name1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone
SMILESCC(=O)c1c(OCCN2CCOCC2)c(OCC=Cc2ccccc2)c2occc2c1C
InChIInChI=1S/C26H29NO5/c1-19-22-10-15-31-24(22)26(30-14-6-9-21-7-4-3-5-8-21)25(23(19)20(2)28)32-18-13-27-11-16-29-17-12-27/h3-10,15H,11-14,16-18H2,1-2H3
InChIKeyNJNINYHVEYCVRD-UHFFFAOYSA-N
XLogP4.75
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone with MolForge

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Related Compounds

1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylbutoxy)-1-benzofuran-5-yl]ethanone
CID 24992606
1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-[(3-phenyloxiran-2-yl)methoxy]-1-benzofuran-5-yl]ethanone
CID 74381937
1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone
CID 59272429
1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone
CID 3021610
1-[2-(difluoromethyl)-7-[3-(4-fluorophenyl)butoxy]-4-methyl-6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-5-yl]ethanone
CID 44545926
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one
CID 53304519
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
1-[3-chloro-5-[4-(2-fluorophenyl)butoxy]-4-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)phenyl]ethanone
CID 91336720
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone (CID 68708739) is 1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone is CC(=O)c1c(OCCN2CCOCC2)c(OCC=Cc2ccccc2)c2occc2c1C.
What is the InChIKey of 1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone?
The InChIKey is NJNINYHVEYCVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-19-22-10-15-31-24(22)26(30-14-6-9-21-7-4-3-5-8-21)25(23(19)20(2)28)32-18-13-27-11-16-29-17-12-27/h3-10,15H,11-14,16-18H2,1-2H3.
What are the key properties of 1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone?
1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone has a molecular weight of 435.52 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(2-morpholin-4-ylethoxy)-7-(3-phenylprop-2-enoxy)-1-benzofuran-5-yl]ethanone is sourced from PubChem (CID 68708739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).