1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one

C24H26N2O5 — CID 17138914

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one
SMILESO=C(CC1(O)C(=O)N(CN2CCC3(CC2)OCCO3)c2ccccc21)c1ccccc1
InChIInChI=1S/C24H26N2O5/c27-21(18-6-2-1-3-7-18)16-24(29)19-8-4-5-9-20(19)26(22(24)28)17-25-12-10-23(11-13-25)30-14-15-31-23/h1-9,29H,10-17H2
InChIKeyLSRDXLPKJCLXBG-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.29
Rot. Bonds5

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one (PubChem CID 17138914) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one
PubChem CID17138914
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one
SMILESO=C(CC1(O)C(=O)N(CN2CCC3(CC2)OCCO3)c2ccccc21)c1ccccc1
InChIInChI=1S/C24H26N2O5/c27-21(18-6-2-1-3-7-18)16-24(29)19-8-4-5-9-20(19)26(22(24)28)17-25-12-10-23(11-13-25)30-14-15-31-23/h1-9,29H,10-17H2
InChIKeyLSRDXLPKJCLXBG-UHFFFAOYSA-N
XLogP2.29
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one (CID 17138914) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one is O=C(CC1(O)C(=O)N(CN2CCC3(CC2)OCCO3)c2ccccc21)c1ccccc1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one?
The InChIKey is LSRDXLPKJCLXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c27-21(18-6-2-1-3-7-18)16-24(29)19-8-4-5-9-20(19)26(22(24)28)17-25-12-10-23(11-13-25)30-14-15-31-23/h1-9,29H,10-17H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one has a molecular weight of 422.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one is sourced from PubChem (CID 17138914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).