1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

C23H26N2O5 — CID 66642059

IUPAC1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESCCOCCNCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21
InChIInChI=1S/C23H26N2O5/c1-2-27-11-9-24-8-5-10-25-18-7-4-3-6-16(18)23(22(25)26)14-28-19-13-21-20(12-17(19)23)29-15-30-21/h3-4,6-7,12-13,24H,2,5,8-11,14-15H2,1H3
InChIKeyGKPLEGSELZQOTP-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.46
Rot. Bonds8

About 1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (PubChem CID 66642059) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
PubChem CID66642059
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESCCOCCNCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21
InChIInChI=1S/C23H26N2O5/c1-2-27-11-9-24-8-5-10-25-18-7-4-3-6-16(18)23(22(25)26)14-28-19-13-21-20(12-17(19)23)29-15-30-21/h3-4,6-7,12-13,24H,2,5,8-11,14-15H2,1H3
InChIKeyGKPLEGSELZQOTP-UHFFFAOYSA-N
XLogP2.46
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The IUPAC name of 1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (CID 66642059) is 1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.
What is the SMILES notation for 1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The canonical SMILES for 1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is CCOCCNCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21.
What is the InChIKey of 1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The InChIKey is GKPLEGSELZQOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-2-27-11-9-24-8-5-10-25-18-7-4-3-6-16(18)23(22(25)26)14-28-19-13-21-20(12-17(19)23)29-15-30-21/h3-4,6-7,12-13,24H,2,5,8-11,14-15H2,1H3.
What are the key properties of 1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one has a molecular weight of 410.47 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(2-ethoxyethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is sourced from PubChem (CID 66642059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).