N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide

C14H19F3N2O — CID 119523136

IUPACN-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
SMILESCC(C)(CN)NC(=O)CC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-13(2,9-18)19-12(20)8-11(14(15,16)17)10-6-4-3-5-7-10/h3-7,11H,8-9,18H2,1-2H3,(H,19,20)
InChIKeyRPAAHGQWLJHUFE-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.58
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide

N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide (PubChem CID 119523136) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
PubChem CID119523136
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
SMILESCC(C)(CN)NC(=O)CC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-13(2,9-18)19-12(20)8-11(14(15,16)17)10-6-4-3-5-7-10/h3-7,11H,8-9,18H2,1-2H3,(H,19,20)
InChIKeyRPAAHGQWLJHUFE-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119607171
N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119574021
2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 75472228
N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide
CID 119523708
N-(2-methylbutan-2-yl)-3,3-diphenylpropanamide
CID 1292106
4,4,4-trifluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-phenylbutanamide
CID 109380932
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119602801
4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid
CID 119188017
4-(3,3-diphenylpropanoylamino)-4-methylpentanoic acid
CID 119204427
1-methyl-4-[[(3R)-4,4,4-trifluoro-3-phenylbutanoyl]amino]pyrrole-2-carboxamide
CID 95299042
(3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide
CID 95273109
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119590512

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide (CID 119523136) is N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide is CC(C)(CN)NC(=O)CC(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide?
The InChIKey is RPAAHGQWLJHUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-13(2,9-18)19-12(20)8-11(14(15,16)17)10-6-4-3-5-7-10/h3-7,11H,8-9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide?
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide has a molecular weight of 288.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide is sourced from PubChem (CID 119523136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).