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

C24H29N3O — CID 10714523

IUPAC8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1cccc2c1CCCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C24H29N3O/c1-18-7-5-11-21-20(18)10-6-12-22(21)26-15-13-24(14-16-26)23(28)25-17-27(24)19-8-3-2-4-9-19/h2-5,7-9,11,22H,6,10,12-17H2,1H3,(H,25,28)
InChIKeyPYQRZQXALHGAGL-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.80
Rot. Bonds2

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

8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10714523) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID10714523
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1cccc2c1CCCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C24H29N3O/c1-18-7-5-11-21-20(18)10-6-12-22(21)26-15-13-24(14-16-26)23(28)25-17-27(24)19-8-3-2-4-9-19/h2-5,7-9,11,22H,6,10,12-17H2,1H3,(H,25,28)
InChIKeyPYQRZQXALHGAGL-UHFFFAOYSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 10714523) is 8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is Cc1cccc2c1CCCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is PYQRZQXALHGAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18-7-5-11-21-20(18)10-6-12-22(21)26-15-13-24(14-16-26)23(28)25-17-27(24)19-8-3-2-4-9-19/h2-5,7-9,11,22H,6,10,12-17H2,1H3,(H,25,28).
What are the key properties of 8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 375.52 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10714523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).