8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C24H34F3N3O4 — CID 123850759

IUPAC8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(O)cc1CCCN(CCCC(F)(F)F)C(C)C1(O)CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C24H34F3N3O4/c1-16-6-7-19(31)15-18(16)5-3-13-30(14-4-8-24(25,26)27)17(2)23(34)11-9-22(10-12-23)20(32)28-21(33)29-22/h6-7,15,17,31,34H,3-5,8-14H2,1-2H3,(H2,28,29,32,33)
InChIKeyPPKFOEISOBVMPZ-UHFFFAOYSA-N
MW485.55 g/mol
LogP3.55
Rot. Bonds9

About 8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 123850759) has the molecular formula C24H34F3N3O4 and a molecular weight of 485.55 g/mol. Its IUPAC name is 8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID123850759
Molecular FormulaC24H34F3N3O4
Molecular Weight485.55 g/mol
Exact Mass485.25
IUPAC Name8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(O)cc1CCCN(CCCC(F)(F)F)C(C)C1(O)CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C24H34F3N3O4/c1-16-6-7-19(31)15-18(16)5-3-13-30(14-4-8-24(25,26)27)17(2)23(34)11-9-22(10-12-23)20(32)28-21(33)29-22/h6-7,15,17,31,34H,3-5,8-14H2,1-2H3,(H2,28,29,32,33)
InChIKeyPPKFOEISOBVMPZ-UHFFFAOYSA-N
XLogP3.55
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 123850759) is 8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc(O)cc1CCCN(CCCC(F)(F)F)C(C)C1(O)CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is PPKFOEISOBVMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N3O4/c1-16-6-7-19(31)15-18(16)5-3-13-30(14-4-8-24(25,26)27)17(2)23(34)11-9-22(10-12-23)20(32)28-21(33)29-22/h6-7,15,17,31,34H,3-5,8-14H2,1-2H3,(H2,28,29,32,33).
What are the key properties of 8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 485.55 g/mol, XLogP of 3.55, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-[1-[3-(5-hydroxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 123850759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).