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

C29H36N2O5 — CID 13393488

IUPACbis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone
SMILESCCN(CC)CCOc1cccc2cc(C(=O)c3cc4cccc(OCCN(CC)CC)c4o3)oc12
InChIInChI=1S/C29H36N2O5/c1-5-30(6-2)15-17-33-23-13-9-11-21-19-25(35-28(21)23)27(32)26-20-22-12-10-14-24(29(22)36-26)34-18-16-31(7-3)8-4/h9-14,19-20H,5-8,15-18H2,1-4H3
InChIKeyNCARYVOHBZTRGS-UHFFFAOYSA-N
MW492.62 g/mol
LogP5.85
Rot. Bonds14

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

bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone (PubChem CID 13393488) has the molecular formula C29H36N2O5 and a molecular weight of 492.62 g/mol. Its IUPAC name is bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Namebis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone
PubChem CID13393488
Molecular FormulaC29H36N2O5
Molecular Weight492.62 g/mol
Exact Mass492.26
IUPAC Namebis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone
SMILESCCN(CC)CCOc1cccc2cc(C(=O)c3cc4cccc(OCCN(CC)CC)c4o3)oc12
InChIInChI=1S/C29H36N2O5/c1-5-30(6-2)15-17-33-23-13-9-11-21-19-25(35-28(21)23)27(32)26-20-22-12-10-14-24(29(22)36-26)34-18-16-31(7-3)8-4/h9-14,19-20H,5-8,15-18H2,1-4H3
InChIKeyNCARYVOHBZTRGS-UHFFFAOYSA-N
XLogP5.85
TPSA68.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

bis[7-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]methanone
CID 13455063
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 3280950
N-[2-(diethylamino)ethyl]-7-ethoxy-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888119
N-ethyl-N-(2-hydroxyethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 110888631
(2R)-1-[3-(diethylamino)propyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 1288862
1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone
CID 175384005
1-[2-(diethylamino)ethyl]-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 4866406
(2S)-1-[2-(diethylamino)ethyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 28748115
1-[3-(diethylamino)propyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 3474986
1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride
CID 24838037
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide;hydrochloride
CID 44916510

Frequently Asked Questions

What is the IUPAC name of bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone?
The IUPAC name of bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone (CID 13393488) is bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone.
What is the SMILES notation for bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone?
The canonical SMILES for bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone is CCN(CC)CCOc1cccc2cc(C(=O)c3cc4cccc(OCCN(CC)CC)c4o3)oc12.
What is the InChIKey of bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone?
The InChIKey is NCARYVOHBZTRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O5/c1-5-30(6-2)15-17-33-23-13-9-11-21-19-25(35-28(21)23)27(32)26-20-22-12-10-14-24(29(22)36-26)34-18-16-31(7-3)8-4/h9-14,19-20H,5-8,15-18H2,1-4H3.
What are the key properties of bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone?
bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone has a molecular weight of 492.62 g/mol, XLogP of 5.85, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[7-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 13393488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).