N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

C20H26F3N3O4 — CID 155949287

IUPACN-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCC1OCCC12CN(CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)CCO2
InChIInChI=1S/C20H26F3N3O4/c1-14-19(7-9-29-14)13-26(8-10-30-19)12-18(28)25(2)11-17(27)24-16-6-4-3-5-15(16)20(21,22)23/h3-6,14H,7-13H2,1-2H3,(H,24,27)
InChIKeyQSWULDMBHACTEQ-UHFFFAOYSA-N
MW429.44 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide

N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (PubChem CID 155949287) has the molecular formula C20H26F3N3O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
PubChem CID155949287
Molecular FormulaC20H26F3N3O4
Molecular Weight429.44 g/mol
Exact Mass429.19
IUPAC NameN-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCC1OCCC12CN(CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)CCO2
InChIInChI=1S/C20H26F3N3O4/c1-14-19(7-9-29-14)13-26(8-10-30-19)12-18(28)25(2)11-17(27)24-16-6-4-3-5-15(16)20(21,22)23/h3-6,14H,7-13H2,1-2H3,(H,24,27)
InChIKeyQSWULDMBHACTEQ-UHFFFAOYSA-N
XLogP1.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide with MolForge

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Related Compounds

N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
CID 27100580
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
N-(4-methoxyphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)acetamide
CID 122139618
3-cyclohexyl-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18274940
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,3-diphenylpropanamide
CID 26897747
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113160713
(2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 98539892
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopentanecarboxamide
CID 8503372
3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one
CID 125140300
2-[(2-benzylsulfanylacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24981104
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The IUPAC name of N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide (CID 155949287) is N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The canonical SMILES for N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is CC1OCCC12CN(CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)CCO2.
What is the InChIKey of N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
The InChIKey is QSWULDMBHACTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O4/c1-14-19(7-9-29-14)13-26(8-10-30-19)12-18(28)25(2)11-17(27)24-16-6-4-3-5-15(16)20(21,22)23/h3-6,14H,7-13H2,1-2H3,(H,24,27).
What are the key properties of N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide?
N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide has a molecular weight of 429.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide is sourced from PubChem (CID 155949287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).