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

C21H20F3N3O3 — CID 69278768

IUPAC(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccccc1C(F)(F)F)ON1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)16-8-4-5-9-17(16)25-19(28)29-27-12-10-20(11-13-27)14-18(26-30-20)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,25,28)
InChIKeyNPRFUENCRVTCOC-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.83
Rot. Bonds3

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

(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate (PubChem CID 69278768) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate
PubChem CID69278768
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccccc1C(F)(F)F)ON1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)16-8-4-5-9-17(16)25-19(28)29-27-12-10-20(11-13-27)14-18(26-30-20)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,25,28)
InChIKeyNPRFUENCRVTCOC-UHFFFAOYSA-N
XLogP4.83
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]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-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate (CID 69278768) is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate is O=C(Nc1ccccc1C(F)(F)F)ON1CCC2(CC1)CC(c1ccccc1)=NO2.
What is the InChIKey of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is NPRFUENCRVTCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c22-21(23,24)16-8-4-5-9-17(16)25-19(28)29-27-12-10-20(11-13-27)14-18(26-30-20)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,25,28).
What are the key properties of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate?
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 419.40 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-[2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 69278768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).