3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

C23H26N2O3 — CID 68998118

IUPAC3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCCN(CCOC)CCc1ccc2c(c1)COC2=C1C(=O)Nc2ccccc21
InChIInChI=1S/C23H26N2O3/c1-3-25(12-13-27-2)11-10-16-8-9-18-17(14-16)15-28-22(18)21-19-6-4-5-7-20(19)24-23(21)26/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,26)
InChIKeyQIDPRPCPIXKWSY-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.55
Rot. Bonds7

About 3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (PubChem CID 68998118) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
PubChem CID68998118
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCCN(CCOC)CCc1ccc2c(c1)COC2=C1C(=O)Nc2ccccc21
InChIInChI=1S/C23H26N2O3/c1-3-25(12-13-27-2)11-10-16-8-9-18-17(14-16)15-28-22(18)21-19-6-4-5-7-20(19)24-23(21)26/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,26)
InChIKeyQIDPRPCPIXKWSY-UHFFFAOYSA-N
XLogP3.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The IUPAC name of 3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (CID 68998118) is 3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The canonical SMILES for 3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is CCN(CCOC)CCc1ccc2c(c1)COC2=C1C(=O)Nc2ccccc21.
What is the InChIKey of 3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The InChIKey is QIDPRPCPIXKWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-25(12-13-27-2)11-10-16-8-9-18-17(14-16)15-28-22(18)21-19-6-4-5-7-20(19)24-23(21)26/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,26).
What are the key properties of 3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[ethyl(2-methoxyethyl)amino]ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is sourced from PubChem (CID 68998118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).