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

C24H26F3N3O2 — CID 11964993

IUPACN-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2
InChIInChI=1S/C24H26F3N3O2/c1-16(2)19-5-3-4-6-20(19)28-22(31)30-13-11-23(12-14-30)15-21(29-32-23)17-7-9-18(10-8-17)24(25,26)27/h3-10,16H,11-15H2,1-2H3,(H,28,31)
InChIKeyULYMNCWHKXIFDX-UHFFFAOYSA-N
MW445.49 g/mol
LogP6.02
Rot. Bonds3

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

N-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 11964993) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
PubChem CID11964993
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC NameN-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2
InChIInChI=1S/C24H26F3N3O2/c1-16(2)19-5-3-4-6-20(19)28-22(31)30-13-11-23(12-14-30)15-21(29-32-23)17-7-9-18(10-8-17)24(25,26)27/h3-10,16H,11-15H2,1-2H3,(H,28,31)
InChIKeyULYMNCWHKXIFDX-UHFFFAOYSA-N
XLogP6.02
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (CID 11964993) is N-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is CC(C)c1ccccc1NC(=O)N1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2.
What is the InChIKey of N-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
The InChIKey is ULYMNCWHKXIFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-16(2)19-5-3-4-6-20(19)28-22(31)30-13-11-23(12-14-30)15-21(29-32-23)17-7-9-18(10-8-17)24(25,26)27/h3-10,16H,11-15H2,1-2H3,(H,28,31).
What are the key properties of N-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?
N-(2-propan-2-ylphenyl)-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 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 11964993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).