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

C22H22F3N3O2 — CID 90924601

IUPAC6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CCC12C=C(c1ccccc1)NO2
InChIInChI=1S/C22H22F3N3O2/c1-15-14-28(20(29)26-18-9-7-17(8-10-18)22(23,24)25)12-11-21(15)13-19(27-30-21)16-5-3-2-4-6-16/h2-10,13,15,27H,11-12,14H2,1H3,(H,26,29)
InChIKeyLQTLWEPKNRVAOA-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.89
Rot. Bonds2

About 6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 90924601) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound Name6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID90924601
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CCC12C=C(c1ccccc1)NO2
InChIInChI=1S/C22H22F3N3O2/c1-15-14-28(20(29)26-18-9-7-17(8-10-18)22(23,24)25)12-11-21(15)13-19(27-30-21)16-5-3-2-4-6-16/h2-10,13,15,27H,11-12,14H2,1H3,(H,26,29)
InChIKeyLQTLWEPKNRVAOA-UHFFFAOYSA-N
XLogP4.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
1-(2''-Fluorobiphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831057
1-(4''-Fluorobiphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831058
1-Benzyl-1-[1-(3-methylbutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696222
1-Benzyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696274
1-Benzyl-1-(1-butylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696379
1-Benzyl-3-(3,4-difluorophenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711224
1-Benzyl-3-(3-fluoro-4-methylphenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711498
1-Benzyl-1-(1-pentan-2-ylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 126711499
N-(3-fluorophenyl)-4-phenylpiperidine-1-carboxamide
CID 3595370
N-(4-ethylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 6467355
4-o-Tolyl-piperidine-1-carboxylic acid (4-trifluoromethyl-phenyl)-amide
CID 11245391

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of 6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 90924601) is 6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for 6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for 6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is CC1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CCC12C=C(c1ccccc1)NO2.
What is the InChIKey of 6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is LQTLWEPKNRVAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-15-14-28(20(29)26-18-9-7-17(8-10-18)22(23,24)25)12-11-21(15)13-19(27-30-21)16-5-3-2-4-6-16/h2-10,13,15,27H,11-12,14H2,1H3,(H,26,29).
What are the key properties of 6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-N-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 90924601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).