bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone

C25H28N2O5 — CID 13455063

IUPACbis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone
SMILESCN(C)CCOc1cccc2cc(C(=O)c3cc4cccc(OCCN(C)C)c4o3)oc12
InChIInChI=1S/C25H28N2O5/c1-26(2)11-13-29-19-9-5-7-17-15-21(31-24(17)19)23(28)22-16-18-8-6-10-20(25(18)32-22)30-14-12-27(3)4/h5-10,15-16H,11-14H2,1-4H3
InChIKeyXHZRKGLPRHRZIM-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.29
Rot. Bonds10

About bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone

bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone (PubChem CID 13455063) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Namebis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone
PubChem CID13455063
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Namebis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone
SMILESCN(C)CCOc1cccc2cc(C(=O)c3cc4cccc(OCCN(C)C)c4o3)oc12
InChIInChI=1S/C25H28N2O5/c1-26(2)11-13-29-19-9-5-7-17-15-21(31-24(17)19)23(28)22-16-18-8-6-10-20(25(18)32-22)30-14-12-27(3)4/h5-10,15-16H,11-14H2,1-4H3
InChIKeyXHZRKGLPRHRZIM-UHFFFAOYSA-N
XLogP4.29
TPSA68.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone
CID 13393488
N-[2-(dimethylamino)ethyl]-7-ethoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888163
1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone
CID 175384005
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one
CID 71450597
1-[7-(2,3-dihydroxypropoxy)-1-benzofuran-2-yl]ethanone
CID 13130644
(2R)-1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 35043314
N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888229
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
1-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 3779705
2-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 3885831
N-ethyl-N-(2-hydroxyethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 110888631

Frequently Asked Questions

What is the IUPAC name of bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone?
The IUPAC name of bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone (CID 13455063) is bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone.
What is the SMILES notation for bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone?
The canonical SMILES for bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone is CN(C)CCOc1cccc2cc(C(=O)c3cc4cccc(OCCN(C)C)c4o3)oc12.
What is the InChIKey of bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone?
The InChIKey is XHZRKGLPRHRZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-26(2)11-13-29-19-9-5-7-17-15-21(31-24(17)19)23(28)22-16-18-8-6-10-20(25(18)32-22)30-14-12-27(3)4/h5-10,15-16H,11-14H2,1-4H3.
What are the key properties of bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone?
bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone has a molecular weight of 436.51 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 13455063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).