8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one

C25H32Cl2N4O — CID 25190604

IUPAC8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
InChIInChI=1S/C25H32Cl2N4O/c1-2-13-28-14-17-30-19-31(20-7-4-3-5-8-20)25(24(30)32)11-15-29(16-12-25)18-21-22(26)9-6-10-23(21)27/h3-10,28H,2,11-19H2,1H3
InChIKeyQDSGWTHAIXUZQT-UHFFFAOYSA-N
MW475.46 g/mol
LogP4.63
Rot. Bonds8

About 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one

8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 25190604) has the molecular formula C25H32Cl2N4O and a molecular weight of 475.46 g/mol. Its IUPAC name is 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID25190604
Molecular FormulaC25H32Cl2N4O
Molecular Weight475.46 g/mol
Exact Mass474.20
IUPAC Name8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
InChIInChI=1S/C25H32Cl2N4O/c1-2-13-28-14-17-30-19-31(20-7-4-3-5-8-20)25(24(30)32)11-15-29(16-12-25)18-21-22(26)9-6-10-23(21)27/h3-10,28H,2,11-19H2,1H3
InChIKeyQDSGWTHAIXUZQT-UHFFFAOYSA-N
XLogP4.63
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 25190604) is 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one is CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O.
What is the InChIKey of 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is QDSGWTHAIXUZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N4O/c1-2-13-28-14-17-30-19-31(20-7-4-3-5-8-20)25(24(30)32)11-15-29(16-12-25)18-21-22(26)9-6-10-23(21)27/h3-10,28H,2,11-19H2,1H3.
What are the key properties of 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 475.46 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 25190604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).