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

C24H26F3N3O2 — CID 11965704

IUPACN-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESCCCc1ccccc1NC(=O)N1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2
InChIInChI=1S/C24H26F3N3O2/c1-2-5-17-6-3-4-7-20(17)28-22(31)30-14-12-23(13-15-30)16-21(29-32-23)18-8-10-19(11-9-18)24(25,26)27/h3-4,6-11H,2,5,12-16H2,1H3,(H,28,31)
InChIKeySAIRGUKHOHTNLB-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.85
Rot. Bonds4

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

N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 11965704) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.

Molecular Properties

Compound NameN-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
PubChem CID11965704
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC NameN-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESCCCc1ccccc1NC(=O)N1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2
InChIInChI=1S/C24H26F3N3O2/c1-2-5-17-6-3-4-7-20(17)28-22(31)30-14-12-23(13-15-30)16-21(29-32-23)18-8-10-19(11-9-18)24(25,26)27/h3-4,6-11H,2,5,12-16H2,1H3,(H,28,31)
InChIKeySAIRGUKHOHTNLB-UHFFFAOYSA-N
XLogP5.85
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The IUPAC name of N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (CID 11965704) is N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.
What is the SMILES notation for N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The canonical SMILES for N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is CCCc1ccccc1NC(=O)N1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2.
What is the InChIKey of N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The InChIKey is SAIRGUKHOHTNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-2-5-17-6-3-4-7-20(17)28-22(31)30-14-12-23(13-15-30)16-21(29-32-23)18-8-10-19(11-9-18)24(25,26)27/h3-4,6-11H,2,5,12-16H2,1H3,(H,28,31).
What are the key properties of N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 11965704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).