1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone

C20H24N2O3 — CID 110828644

IUPAC1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone
SMILESCCN(CC)C(CNCC(=O)c1cc2ccccc2o1)c1ccco1
InChIInChI=1S/C20H24N2O3/c1-3-22(4-2)16(19-10-7-11-24-19)13-21-14-17(23)20-12-15-8-5-6-9-18(15)25-20/h5-12,16,21H,3-4,13-14H2,1-2H3
InChIKeyLPQGKMDBBMKRBD-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.88
Rot. Bonds9

About 1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone

1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone (PubChem CID 110828644) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone
PubChem CID110828644
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone
SMILESCCN(CC)C(CNCC(=O)c1cc2ccccc2o1)c1ccco1
InChIInChI=1S/C20H24N2O3/c1-3-22(4-2)16(19-10-7-11-24-19)13-21-14-17(23)20-12-15-8-5-6-9-18(15)25-20/h5-12,16,21H,3-4,13-14H2,1-2H3
InChIKeyLPQGKMDBBMKRBD-UHFFFAOYSA-N
XLogP3.88
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone with MolForge

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Related Compounds

1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone
CID 110828646
1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736946
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
[(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7831812
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one
CID 105131499
2-(1,3-benzodioxol-5-ylmethylamino)-1-(1-benzofuran-2-yl)ethanone
CID 110824311
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 2571311
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 71933658
3-[2-[[N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111668529
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone (CID 110828644) is 1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone is CCN(CC)C(CNCC(=O)c1cc2ccccc2o1)c1ccco1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone?
The InChIKey is LPQGKMDBBMKRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-22(4-2)16(19-10-7-11-24-19)13-21-14-17(23)20-12-15-8-5-6-9-18(15)25-20/h5-12,16,21H,3-4,13-14H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone?
1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone has a molecular weight of 340.42 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone is sourced from PubChem (CID 110828644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).