2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide

C14H19F3N2O — CID 79811205

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-9(2)11-6-4-10(5-7-11)8-19-12(20)13(3,18)14(15,16)17/h4-7,9H,8,18H2,1-3H3,(H,19,20)
InChIKeyJQDSEPOTFNVVOR-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.71
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 79811205) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID79811205
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-9(2)11-6-4-10(5-7-11)8-19-12(20)13(3,18)14(15,16)17/h4-7,9H,8,18H2,1-3H3,(H,19,20)
InChIKeyJQDSEPOTFNVVOR-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 79796775
2-amino-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 120588462
2,2,2-trifluoroethyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 61382490
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
2-amino-N-[2-(benzylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79792967
2-amino-3,3,3-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
CID 107218398
2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide
CID 75503881
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805023
2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid
CID 43089477

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 79811205) is 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(C)c1ccc(CNC(=O)C(C)(N)C(F)(F)F)cc1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is JQDSEPOTFNVVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(2)11-6-4-10(5-7-11)8-19-12(20)13(3,18)14(15,16)17/h4-7,9H,8,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 288.31 g/mol, XLogP of 2.71, 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-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 79811205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).