2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide

C10H19F3N2O — CID 79804770

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide
SMILESCCC(C)C(C)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-5-6(2)7(3)15-8(16)9(4,14)10(11,12)13/h6-7H,5,14H2,1-4H3,(H,15,16)
InChIKeyKDQUOZRGNBWHPF-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.82
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide (PubChem CID 79804770) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide
PubChem CID79804770
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide
SMILESCCC(C)C(C)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-5-6(2)7(3)15-8(16)9(4,14)10(11,12)13/h6-7H,5,14H2,1-4H3,(H,15,16)
InChIKeyKDQUOZRGNBWHPF-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
CID 79790165
2-amino-2-cyclopropyl-N-(3-methylpentan-2-yl)propanamide
CID 61463878
2-amino-3,3,3-trifluoro-N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 79812031
2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79811328
2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797225
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]butanoic acid
CID 79811364
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 79810676
propan-2-yl 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79798173
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 79793690
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81360069

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide (CID 79804770) is 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide is CCC(C)C(C)NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide?
The InChIKey is KDQUOZRGNBWHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-5-6(2)7(3)15-8(16)9(4,14)10(11,12)13/h6-7H,5,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide has a molecular weight of 240.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide is sourced from PubChem (CID 79804770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).