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

C22H23F3N4O4 — CID 51369299

IUPACN-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NO2
InChIInChI=1S/C22H23F3N4O4/c1-31-18-5-3-2-4-17(18)26-19(30)14-29-12-10-21(11-13-29)27-20(28-33-21)15-6-8-16(9-7-15)32-22(23,24)25/h2-9H,10-14H2,1H3,(H,26,30)(H,27,28)
InChIKeyRPZDVVVQAYPGQT-UHFFFAOYSA-N
MW464.44 g/mol
LogP3.31
Rot. Bonds6

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

N-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (PubChem CID 51369299) has the molecular formula C22H23F3N4O4 and a molecular weight of 464.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
PubChem CID51369299
Molecular FormulaC22H23F3N4O4
Molecular Weight464.44 g/mol
Exact Mass464.17
IUPAC NameN-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NO2
InChIInChI=1S/C22H23F3N4O4/c1-31-18-5-3-2-4-17(18)26-19(30)14-29-12-10-21(11-13-29)27-20(28-33-21)15-6-8-16(9-7-15)32-22(23,24)25/h2-9H,10-14H2,1H3,(H,26,30)(H,27,28)
InChIKeyRPZDVVVQAYPGQT-UHFFFAOYSA-N
XLogP3.31
TPSA84.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-phenylethyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 51369333
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
2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone
CID 91888910
N-(4-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369219
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
N-(3-methylphenyl)-2-(3-pyridin-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 51369218
N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922615
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 55570707
tert-butyl 4-[2-(2-methoxyanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 166605682

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide (CID 51369299) is N-(2-methoxyphenyl)-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-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is COc1ccccc1NC(=O)CN1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NO2.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
The InChIKey is RPZDVVVQAYPGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O4/c1-31-18-5-3-2-4-17(18)26-19(30)14-29-12-10-21(11-13-29)27-20(28-33-21)15-6-8-16(9-7-15)32-22(23,24)25/h2-9H,10-14H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide?
N-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide has a molecular weight of 464.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide is sourced from PubChem (CID 51369299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).