2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide

C14H20F3N3O — CID 116693883

IUPAC2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide
SMILESCN(CCC(F)(F)F)CCC(N)(C(N)=O)c1ccccc1
InChIInChI=1S/C14H20F3N3O/c1-20(10-8-14(15,16)17)9-7-13(19,12(18)21)11-5-3-2-4-6-11/h2-6H,7-10,19H2,1H3,(H2,18,21)
InChIKeyLERPENVTKBULOR-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.60
Rot. Bonds7

About 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide

2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide (PubChem CID 116693883) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide
PubChem CID116693883
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide
SMILESCN(CCC(F)(F)F)CCC(N)(C(N)=O)c1ccccc1
InChIInChI=1S/C14H20F3N3O/c1-20(10-8-14(15,16)17)9-7-13(19,12(18)21)11-5-3-2-4-6-11/h2-6H,7-10,19H2,1H3,(H2,18,21)
InChIKeyLERPENVTKBULOR-UHFFFAOYSA-N
XLogP1.60
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
CID 116693835
2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide
CID 116693896
2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide
CID 116693782
methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate
CID 116693670
2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanenitrile
CID 116692620
2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide
CID 63210905
methyl 2-amino-2-phenyl-3-(3,3,3-trifluoropropoxy)propanoate
CID 82958729
2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
CID 116693503
4-[methyl(3-phenylpropyl)amino]-2,2-diphenylbutanamide
CID 19088491
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide
CID 116694611
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693857

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide?
The IUPAC name of 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide (CID 116693883) is 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide.
What is the SMILES notation for 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide?
The canonical SMILES for 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide is CN(CCC(F)(F)F)CCC(N)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide?
The InChIKey is LERPENVTKBULOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-20(10-8-14(15,16)17)9-7-13(19,12(18)21)11-5-3-2-4-6-11/h2-6H,7-10,19H2,1H3,(H2,18,21).
What are the key properties of 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide?
2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide has a molecular weight of 303.33 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide is sourced from PubChem (CID 116693883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).