8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C25H31N3O — CID 18782339

IUPAC8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1ccc(C)c2c1CCC(N1CCC3(CC1)C(=O)NCN3c1ccccc1)C2
InChIInChI=1S/C25H31N3O/c1-18-8-9-19(2)23-16-21(10-11-22(18)23)27-14-12-25(13-15-27)24(29)26-17-28(25)20-6-4-3-5-7-20/h3-9,21H,10-17H2,1-2H3,(H,26,29)
InChIKeyAVTITQJIVAWSKS-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.59
Rot. Bonds2

About 8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 18782339) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID18782339
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1ccc(C)c2c1CCC(N1CCC3(CC1)C(=O)NCN3c1ccccc1)C2
InChIInChI=1S/C25H31N3O/c1-18-8-9-19(2)23-16-21(10-11-22(18)23)27-14-12-25(13-15-27)24(29)26-17-28(25)20-6-4-3-5-7-20/h3-9,21H,10-17H2,1-2H3,(H,26,29)
InChIKeyAVTITQJIVAWSKS-UHFFFAOYSA-N
XLogP3.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 18782339) is 8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is Cc1ccc(C)c2c1CCC(N1CCC3(CC1)C(=O)NCN3c1ccccc1)C2.
What is the InChIKey of 8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is AVTITQJIVAWSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-18-8-9-19(2)23-16-21(10-11-22(18)23)27-14-12-25(13-15-27)24(29)26-17-28(25)20-6-4-3-5-7-20/h3-9,21H,10-17H2,1-2H3,(H,26,29).
What are the key properties of 8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 389.54 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 18782339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).