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

C25H36F3N3O4 — CID 162592862

IUPAC8-hydroxy-8-[(1R)-1-[3-(5-methoxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C)c(CCCN(CCCC(F)(F)F)[C@H](C)C2(O)CCC3(CC2)NC(=O)NC3=O)c1
InChIInChI=1S/C25H36F3N3O4/c1-17-7-8-20(35-3)16-19(17)6-4-14-31(15-5-9-25(26,27)28)18(2)24(34)12-10-23(11-13-24)21(32)29-22(33)30-23/h7-8,16,18,34H,4-6,9-15H2,1-3H3,(H2,29,30,32,33)/t18-,23?,24?/m1/s1
InChIKeyDNVUWWWWAIVBHW-WZFBRQLOSA-N
MW499.57 g/mol
LogP3.85
Rot. Bonds10

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

8-hydroxy-8-[(1R)-1-[3-(5-methoxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 162592862) has the molecular formula C25H36F3N3O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is 8-hydroxy-8-[(1R)-1-[3-(5-methoxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-hydroxy-8-[(1R)-1-[3-(5-methoxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID162592862
Molecular FormulaC25H36F3N3O4
Molecular Weight499.57 g/mol
Exact Mass499.27
IUPAC Name8-hydroxy-8-[(1R)-1-[3-(5-methoxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C)c(CCCN(CCCC(F)(F)F)[C@H](C)C2(O)CCC3(CC2)NC(=O)NC3=O)c1
InChIInChI=1S/C25H36F3N3O4/c1-17-7-8-20(35-3)16-19(17)6-4-14-31(15-5-9-25(26,27)28)18(2)24(34)12-10-23(11-13-24)21(32)29-22(33)30-23/h7-8,16,18,34H,4-6,9-15H2,1-3H3,(H2,29,30,32,33)/t18-,23?,24?/m1/s1
InChIKeyDNVUWWWWAIVBHW-WZFBRQLOSA-N
XLogP3.85
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 53.85
H-Bond Donors ≤ 53
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-[(1R)-1-[3-(5-methoxy-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-[(1R)-1-[3-(5-methoxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 162592862) is 8-hydroxy-8-[(1R)-1-[3-(5-methoxy-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-[(1R)-1-[3-(5-methoxy-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-[(1R)-1-[3-(5-methoxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccc(C)c(CCCN(CCCC(F)(F)F)[C@H](C)C2(O)CCC3(CC2)NC(=O)NC3=O)c1.
What is the InChIKey of 8-hydroxy-8-[(1R)-1-[3-(5-methoxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is DNVUWWWWAIVBHW-WZFBRQLOSA-N. The full InChI is InChI=1S/C25H36F3N3O4/c1-17-7-8-20(35-3)16-19(17)6-4-14-31(15-5-9-25(26,27)28)18(2)24(34)12-10-23(11-13-24)21(32)29-22(33)30-23/h7-8,16,18,34H,4-6,9-15H2,1-3H3,(H2,29,30,32,33)/t18-,23?,24?/m1/s1.
What are the key properties of 8-hydroxy-8-[(1R)-1-[3-(5-methoxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-hydroxy-8-[(1R)-1-[3-(5-methoxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 499.57 g/mol, XLogP of 3.85, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-[(1R)-1-[3-(5-methoxy-2-methylphenyl)propyl-(4,4,4-trifluorobutyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 162592862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).