N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide

C14H19F3N2O — CID 50970573

IUPACN-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide
SMILESCNC(=O)CC(C)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-10(8-13(20)18-2)19(3)9-11-4-6-12(7-5-11)14(15,16)17/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyLYYWKHCCXZUXCH-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.66
Rot. Bonds5

About N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide

N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide (PubChem CID 50970573) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide
PubChem CID50970573
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide
SMILESCNC(=O)CC(C)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-10(8-13(20)18-2)19(3)9-11-4-6-12(7-5-11)14(15,16)17/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyLYYWKHCCXZUXCH-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
CID 95131612
N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide
CID 50985142
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
3-[(4-imidazol-1-ylphenyl)methyl-methylamino]-N-methylbutanamide
CID 56720189
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide
CID 56709335
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
3-(methylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 116564980
2-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoic acid
CID 55031151
(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 8595558
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide?
The IUPAC name of N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide (CID 50970573) is N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide.
What is the SMILES notation for N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide?
The canonical SMILES for N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide is CNC(=O)CC(C)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide?
The InChIKey is LYYWKHCCXZUXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10(8-13(20)18-2)19(3)9-11-4-6-12(7-5-11)14(15,16)17/h4-7,10H,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide?
N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide has a molecular weight of 288.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide is sourced from PubChem (CID 50970573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).