2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide

C21H25F3N2O3 — CID 55861670

IUPAC2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1
InChIInChI=1S/C21H25F3N2O3/c1-14-9-16(10-15(2)20(14)29-13-21(22,23)24)11-26(3)12-19(27)25-17-5-7-18(28-4)8-6-17/h5-10H,11-13H2,1-4H3,(H,25,27)
InChIKeyMJUOJEKUQRCDLE-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.32
Rot. Bonds8

About 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide

2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 55861670) has the molecular formula C21H25F3N2O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID55861670
Molecular FormulaC21H25F3N2O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC Name2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1
InChIInChI=1S/C21H25F3N2O3/c1-14-9-16(10-15(2)20(14)29-13-21(22,23)24)11-26(3)12-19(27)25-17-5-7-18(28-4)8-6-17/h5-10H,11-13H2,1-4H3,(H,25,27)
InChIKeyMJUOJEKUQRCDLE-UHFFFAOYSA-N
XLogP4.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide
CID 52690847
N-(3-cyanothiophen-2-yl)-2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetamide
CID 55861159
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 52690735
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
2-[(4-methoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8761296
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761370
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
N-(3-chloro-2-methylphenyl)-2-[[2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]acetyl]amino]acetamide
CID 60524139
N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054311

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide (CID 55861670) is 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)cc1.
What is the InChIKey of 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is MJUOJEKUQRCDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O3/c1-14-9-16(10-15(2)20(14)29-13-21(22,23)24)11-26(3)12-19(27)25-17-5-7-18(28-4)8-6-17/h5-10H,11-13H2,1-4H3,(H,25,27).
What are the key properties of 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 410.44 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 55861670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).