N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide

C25H32F3N3O3 — CID 60524407

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C(C)N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1
InChIInChI=1S/C25H32F3N3O3/c1-15-8-7-9-16(2)22(15)30-21(32)12-29-24(33)19(5)31(6)13-20-10-17(3)23(18(4)11-20)34-14-25(26,27)28/h7-11,19H,12-14H2,1-6H3,(H,29,33)(H,30,32)
InChIKeyXLOKDHWRYKSEKW-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.44
Rot. Bonds9

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide (PubChem CID 60524407) has the molecular formula C25H32F3N3O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide
PubChem CID60524407
Molecular FormulaC25H32F3N3O3
Molecular Weight479.54 g/mol
Exact Mass479.24
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C(C)N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1
InChIInChI=1S/C25H32F3N3O3/c1-15-8-7-9-16(2)22(15)30-21(32)12-29-24(33)19(5)31(6)13-20-10-17(3)23(18(4)11-20)34-14-25(26,27)28/h7-11,19H,12-14H2,1-6H3,(H,29,33)(H,30,32)
InChIKeyXLOKDHWRYKSEKW-UHFFFAOYSA-N
XLogP4.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9041912
(2S)-2-[(4-tert-butylphenyl)methyl-methylamino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9042651
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9037230
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 9038911
(2R)-2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9030159
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 46823246
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 42888919
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 9042589
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 9045922
N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide
CID 52690847
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one
CID 60524287
N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide
CID 60524139

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide (CID 60524407) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide is Cc1cccc(C)c1NC(=O)CNC(=O)C(C)N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide?
The InChIKey is XLOKDHWRYKSEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O3/c1-15-8-7-9-16(2)22(15)30-21(32)12-29-24(33)19(5)31(6)13-20-10-17(3)23(18(4)11-20)34-14-25(26,27)28/h7-11,19H,12-14H2,1-6H3,(H,29,33)(H,30,32).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide has a molecular weight of 479.54 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]propanamide is sourced from PubChem (CID 60524407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).