N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid

C20H23F3N2O3 — CID 50985949

IUPACN-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid
SMILESCCC(C(=O)Nc1ccccc1N(C)C)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N2O.C2HF3O2/c1-4-15(14-10-6-5-7-11-14)18(21)19-16-12-8-9-13-17(16)20(2)3;3-2(4,5)1(6)7/h5-13,15H,4H2,1-3H3,(H,19,21);(H,6,7)
InChIKeyKQKPCGIMOYYHEE-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.52
Rot. Bonds5

About N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid

N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid (PubChem CID 50985949) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid
PubChem CID50985949
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC NameN-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid
SMILESCCC(C(=O)Nc1ccccc1N(C)C)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N2O.C2HF3O2/c1-4-15(14-10-6-5-7-11-14)18(21)19-16-12-8-9-13-17(16)20(2)3;3-2(4,5)1(6)7/h5-13,15H,4H2,1-3H3,(H,19,21);(H,6,7)
InChIKeyKQKPCGIMOYYHEE-UHFFFAOYSA-N
XLogP4.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid
CID 51003799
(2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide;2,2,2-trifluoroacetic acid
CID 50985951
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
2-[[(2R)-2-phenylbutanoyl]amino]benzoate
CID 6957947
methyl (2S)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801098
methyl (2R)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801099
2-cyano-N-[2-(dimethylamino)phenyl]butanamide
CID 106759912
2-amino-N-[2-(dimethylamino)phenyl]-3-phenylpropanamide
CID 43710155
N-benzyl-N-methyl-2-(2-phenylbutanoylamino)benzamide
CID 17311793
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide;2,2,2-trifluoroacetic acid
CID 53313363

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid (CID 50985949) is N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid is CCC(C(=O)Nc1ccccc1N(C)C)c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid?
The InChIKey is KQKPCGIMOYYHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.C2HF3O2/c1-4-15(14-10-6-5-7-11-14)18(21)19-16-12-8-9-13-17(16)20(2)3;3-2(4,5)1(6)7/h5-13,15H,4H2,1-3H3,(H,19,21);(H,6,7).
What are the key properties of N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid?
N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid has a molecular weight of 396.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 50985949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).