N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide

C20H23F3N2O3 — CID 51171449

IUPACN-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)N(C)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H23F3N2O3/c1-13(19(26)24-17-11-16(27-3)9-10-18(17)28-4)25(2)12-14-5-7-15(8-6-14)20(21,22)23/h5-11,13H,12H2,1-4H3,(H,24,26)
InChIKeyLISMTNJKBDVJLB-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.18
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide

N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide (PubChem CID 51171449) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
PubChem CID51171449
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)N(C)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H23F3N2O3/c1-13(19(26)24-17-11-16(27-3)9-10-18(17)28-4)25(2)12-14-5-7-15(8-6-14)20(21,22)23/h5-11,13H,12H2,1-4H3,(H,24,26)
InChIKeyLISMTNJKBDVJLB-UHFFFAOYSA-N
XLogP4.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42911485
(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 8595558
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide
CID 86918893
N-(2-methoxyphenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 46573624
(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9054255
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8024150
N-(2,5-dimethoxyphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 46630124
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 17454282
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 55472464
(2S)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 2574471

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide (CID 51171449) is N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide is COc1ccc(OC)c(NC(=O)C(C)N(C)Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide?
The InChIKey is LISMTNJKBDVJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-13(19(26)24-17-11-16(27-3)9-10-18(17)28-4)25(2)12-14-5-7-15(8-6-14)20(21,22)23/h5-11,13H,12H2,1-4H3,(H,24,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide?
N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide has a molecular weight of 396.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide is sourced from PubChem (CID 51171449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).