N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide

C23H25F3N4O3 — CID 51369333

IUPACN-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
SMILESCC(NC(=O)CN1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NO2)c1ccccc1
InChIInChI=1S/C23H25F3N4O3/c1-16(17-5-3-2-4-6-17)27-20(31)15-30-13-11-22(12-14-30)28-21(29-33-22)18-7-9-19(10-8-18)32-23(24,25)26/h2-10,16H,11-15H2,1H3,(H,27,31)(H,28,29)
InChIKeyWROVPPSKPLITLE-UHFFFAOYSA-N
MW462.47 g/mol
LogP3.54
Rot. Bonds6

About N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide

N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (PubChem CID 51369333) has the molecular formula C23H25F3N4O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
PubChem CID51369333
Molecular FormulaC23H25F3N4O3
Molecular Weight462.47 g/mol
Exact Mass462.19
IUPAC NameN-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
SMILESCC(NC(=O)CN1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NO2)c1ccccc1
InChIInChI=1S/C23H25F3N4O3/c1-16(17-5-3-2-4-6-17)27-20(31)15-30-13-11-22(12-14-30)28-21(29-33-22)18-7-9-19(10-8-18)32-23(24,25)26/h2-10,16H,11-15H2,1H3,(H,27,31)(H,28,29)
InChIKeyWROVPPSKPLITLE-UHFFFAOYSA-N
XLogP3.54
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 51369299
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 51369305
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 92767787
2-(4-oxoquinazolin-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46423728
2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 25496752
N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369219
2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The IUPAC name of N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (CID 51369333) is N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is CC(NC(=O)CN1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NO2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The InChIKey is WROVPPSKPLITLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O3/c1-16(17-5-3-2-4-6-17)27-20(31)15-30-13-11-22(12-14-30)28-21(29-33-22)18-7-9-19(10-8-18)32-23(24,25)26/h2-10,16H,11-15H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide has a molecular weight of 462.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is sourced from PubChem (CID 51369333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).