2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide

C14H19F3N2O — CID 120705289

IUPAC2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
SMILESCNCC(=O)NC(c1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C14H19F3N2O/c1-9(2)13(19-12(20)8-18-3)10-4-6-11(7-5-10)14(15,16)17/h4-7,9,13,18H,8H2,1-3H3,(H,19,20)
InChIKeyBOCNDRTWWOMUDE-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.74
Rot. Bonds5

About 2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide

2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide (PubChem CID 120705289) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
PubChem CID120705289
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
SMILESCNCC(=O)NC(c1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C14H19F3N2O/c1-9(2)13(19-12(20)8-18-3)10-4-6-11(7-5-10)14(15,16)17/h4-7,9,13,18H,8H2,1-3H3,(H,19,20)
InChIKeyBOCNDRTWWOMUDE-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
2-(methylamino)-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119693512
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475
methyl 3-[[2-(methylamino)acetyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoate
CID 120705825
N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
CID 124592494
4-[1-[[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]amino]-2-methylpropyl]-N-hydroxybenzamide
CID 87383960
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284669
2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 110016521
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284667
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
3-[3-[4-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221603
3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide
CID 122150335

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide (CID 120705289) is 2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide is CNCC(=O)NC(c1ccc(C(F)(F)F)cc1)C(C)C.
What is the InChIKey of 2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide?
The InChIKey is BOCNDRTWWOMUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(2)13(19-12(20)8-18-3)10-4-6-11(7-5-10)14(15,16)17/h4-7,9,13,18H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide?
2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide is sourced from PubChem (CID 120705289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).