8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C24H29N3O3 — CID 24847088

IUPAC8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(C1COc2ccccc2O1)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1
InChIInChI=1S/C24H29N3O3/c1-18(22-16-29-20-10-6-7-11-21(20)30-22)26-14-12-24(13-15-26)23(28)25(2)17-27(24)19-8-4-3-5-9-19/h3-11,18,22H,12-17H2,1-2H3
InChIKeyXGQRKJZYLZTXPC-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.99
Rot. Bonds3

About 8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 24847088) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID24847088
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(C1COc2ccccc2O1)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1
InChIInChI=1S/C24H29N3O3/c1-18(22-16-29-20-10-6-7-11-21(20)30-22)26-14-12-24(13-15-26)23(28)25(2)17-27(24)19-8-4-3-5-9-19/h3-11,18,22H,12-17H2,1-2H3
InChIKeyXGQRKJZYLZTXPC-UHFFFAOYSA-N
XLogP2.99
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 24847088) is 8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CC(C1COc2ccccc2O1)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1.
What is the InChIKey of 8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is XGQRKJZYLZTXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18(22-16-29-20-10-6-7-11-21(20)30-22)26-14-12-24(13-15-26)23(28)25(2)17-27(24)19-8-4-3-5-9-19/h3-11,18,22H,12-17H2,1-2H3.
What are the key properties of 8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 407.51 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 24847088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).