3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one

C24H34N2O2 — CID 86794751

IUPAC3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one
SMILESCC(=O)N1CC(CCC(=O)N2CCCC3(CCCCCC3)C2)c2ccccc21
InChIInChI=1S/C24H34N2O2/c1-19(27)26-17-20(21-9-4-5-10-22(21)26)11-12-23(28)25-16-8-15-24(18-25)13-6-2-3-7-14-24/h4-5,9-10,20H,2-3,6-8,11-18H2,1H3
InChIKeyXFVRKEFYUQHCLU-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.88
Rot. Bonds3

About 3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one

3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one (PubChem CID 86794751) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one
PubChem CID86794751
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one
SMILESCC(=O)N1CC(CCC(=O)N2CCCC3(CCCCCC3)C2)c2ccccc21
InChIInChI=1S/C24H34N2O2/c1-19(27)26-17-20(21-9-4-5-10-22(21)26)11-12-23(28)25-16-8-15-24(18-25)13-6-2-3-7-14-24/h4-5,9-10,20H,2-3,6-8,11-18H2,1H3
InChIKeyXFVRKEFYUQHCLU-UHFFFAOYSA-N
XLogP4.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one?
The IUPAC name of 3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one (CID 86794751) is 3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one.
What is the SMILES notation for 3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one?
The canonical SMILES for 3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one is CC(=O)N1CC(CCC(=O)N2CCCC3(CCCCCC3)C2)c2ccccc21.
What is the InChIKey of 3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one?
The InChIKey is XFVRKEFYUQHCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-19(27)26-17-20(21-9-4-5-10-22(21)26)11-12-23(28)25-16-8-15-24(18-25)13-6-2-3-7-14-24/h4-5,9-10,20H,2-3,6-8,11-18H2,1H3.
What are the key properties of 3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one?
3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one has a molecular weight of 382.55 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one is sourced from PubChem (CID 86794751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).