2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide

C15H21F3N2O — CID 79814224

IUPAC2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(N)(CC)C(=O)N(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-3-14(19,4-2)13(21)20(11-15(16,17)18)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11,19H2,1-2H3
InChIKeyYNFOMXBFRMLFAV-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.10
Rot. Bonds6

About 2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79814224) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79814224
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(N)(CC)C(=O)N(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-3-14(19,4-2)13(21)20(11-15(16,17)18)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11,19H2,1-2H3
InChIKeyYNFOMXBFRMLFAV-UHFFFAOYSA-N
XLogP3.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N,N-dibenzyl-2-ethylbutanamide
CID 130161860
methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate
CID 79812574
2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60938216
4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 81075244
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79815221
3-amino-N-benzyl-4-ethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 113226067
N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
CID 102119023
2-amino-N-benzyl-2-methyl-N-propylbutanamide
CID 79797442
2-amino-N-benzyl-N-ethyl-2-methylpentanamide;hydrochloride
CID 119674328
N-benzyl-4-[(3S)-3-fluoro-3-phosphanylbutan-2-yl]-N-(2,2,2-trifluoroethyl)benzamide;manganese
CID 163970796
[(2S)-2-aminopropyl]-benzylcarbamic acid;2,2,2-trifluoroacetic acid
CID 138610897
2-amino-N-benzyl-N-ethyl-2-methylpentanamide
CID 60846660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 79814224) is 2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide is CCC(N)(CC)C(=O)N(Cc1ccccc1)CC(F)(F)F.
What is the InChIKey of 2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is YNFOMXBFRMLFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-14(19,4-2)13(21)20(11-15(16,17)18)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11,19H2,1-2H3.
What are the key properties of 2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 302.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79814224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).