N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C14H19F3N2O — CID 78896082

IUPACN-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(CN(C)CC(=O)N(C)CC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-11-4-6-12(7-5-11)8-18(2)9-13(20)19(3)10-14(15,16)17/h4-7H,8-10H2,1-3H3
InChIKeyNRZPZMNYFMTDDL-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.45
Rot. Bonds5

About N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78896082) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78896082
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(CN(C)CC(=O)N(C)CC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-11-4-6-12(7-5-11)8-18(2)9-13(20)19(3)10-14(15,16)17/h4-7H,8-10H2,1-3H3
InChIKeyNRZPZMNYFMTDDL-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78894496
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 43214055
N-methyl-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 87014713
2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid
CID 155421471
2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 107204065
2-[[2-(4-methylphenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257969
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 87014260
2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 9028197
2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60892498
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 78963094
ethyl 4-[methyl-[(4-methylphenyl)methyl]amino]-3-oxobutanoate
CID 63898313
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 78896082) is N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(CN(C)CC(=O)N(C)CC(F)(F)F)cc1.
What is the InChIKey of N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NRZPZMNYFMTDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-11-4-6-12(7-5-11)8-18(2)9-13(20)19(3)10-14(15,16)17/h4-7H,8-10H2,1-3H3.
What are the key properties of N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78896082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).