N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide

C15H21F3N2O — CID 43087745

IUPACN-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
SMILESCC(C)CNC(=O)C(C)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-10(2)8-20-14(21)11(3)19-9-12-5-4-6-13(7-12)15(16,17)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyCTSMTRBGSFXUQE-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.96
Rot. Bonds6

About N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide

N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide (PubChem CID 43087745) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
PubChem CID43087745
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
SMILESCC(C)CNC(=O)C(C)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-10(2)8-20-14(21)11(3)19-9-12-5-4-6-13(7-12)15(16,17)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyCTSMTRBGSFXUQE-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 60734142
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 55024264
2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 62671146
(2R)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 28880698
methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015
4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 42908391
1-ethylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 115626116

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
The IUPAC name of N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide (CID 43087745) is N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide is CC(C)CNC(=O)C(C)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
The InChIKey is CTSMTRBGSFXUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(2)8-20-14(21)11(3)19-9-12-5-4-6-13(7-12)15(16,17)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide has a molecular weight of 302.34 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 43087745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).