N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide

C23H24F3N3O2 — CID 69322958

IUPACN-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC3(CC2)CC(c2ccc(C(F)(F)F)cc2)=NO3)cc1
InChIInChI=1S/C23H24F3N3O2/c1-16-2-4-17(5-3-16)15-27-21(30)29-12-10-22(11-13-29)14-20(28-31-22)18-6-8-19(9-7-18)23(24,25)26/h2-9H,10-15H2,1H3,(H,27,30)
InChIKeyFUFFJVPUWDZNHK-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.88
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide

N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 69322958) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
PubChem CID69322958
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC NameN-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC3(CC2)CC(c2ccc(C(F)(F)F)cc2)=NO3)cc1
InChIInChI=1S/C23H24F3N3O2/c1-16-2-4-17(5-3-16)15-27-21(30)29-12-10-22(11-13-29)14-20(28-31-22)18-6-8-19(9-7-18)23(24,25)26/h2-9H,10-15H2,1H3,(H,27,30)
InChIKeyFUFFJVPUWDZNHK-UHFFFAOYSA-N
XLogP4.88
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (CID 69322958) is N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is Cc1ccc(CNC(=O)N2CCC3(CC2)CC(c2ccc(C(F)(F)F)cc2)=NO3)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The InChIKey is FUFFJVPUWDZNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-16-2-4-17(5-3-16)15-27-21(30)29-12-10-22(11-13-29)14-20(28-31-22)18-6-8-19(9-7-18)23(24,25)26/h2-9H,10-15H2,1H3,(H,27,30).
What are the key properties of N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 69322958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).