[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate

C24H26F3N3O3 — CID 69278800

IUPAC[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate
SMILESCCCc1ccccc1NC(=O)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2
InChIInChI=1S/C24H26F3N3O3/c1-2-5-17-6-3-4-7-20(17)28-22(31)32-30-14-12-23(13-15-30)16-21(29-33-23)18-8-10-19(11-9-18)24(25,26)27/h3-4,6-11H,2,5,12-16H2,1H3,(H,28,31)
InChIKeySHLAMUUWWBQVDV-UHFFFAOYSA-N
MW461.48 g/mol
LogP5.78
Rot. Bonds5

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

[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate (PubChem CID 69278800) has the molecular formula C24H26F3N3O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate.

Molecular Properties

Compound Name[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate
PubChem CID69278800
Molecular FormulaC24H26F3N3O3
Molecular Weight461.48 g/mol
Exact Mass461.19
IUPAC Name[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate
SMILESCCCc1ccccc1NC(=O)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2
InChIInChI=1S/C24H26F3N3O3/c1-2-5-17-6-3-4-7-20(17)28-22(31)32-30-14-12-23(13-15-30)16-21(29-33-23)18-8-10-19(11-9-18)24(25,26)27/h3-4,6-11H,2,5,12-16H2,1H3,(H,28,31)
InChIKeySHLAMUUWWBQVDV-UHFFFAOYSA-N
XLogP5.78
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.48
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate?
The IUPAC name of [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate (CID 69278800) is [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate.
What is the SMILES notation for [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate?
The canonical SMILES for [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate is CCCc1ccccc1NC(=O)ON1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2.
What is the InChIKey of [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate?
The InChIKey is SHLAMUUWWBQVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3/c1-2-5-17-6-3-4-7-20(17)28-22(31)32-30-14-12-23(13-15-30)16-21(29-33-23)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 [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate?
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate has a molecular weight of 461.48 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-propylphenyl)carbamate is sourced from PubChem (CID 69278800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).