N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid

C21H25F3N2O3 — CID 51003799

IUPACN-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid
SMILESCCC(C(=O)Nc1ccccc1N(C)CC)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N2O.C2HF3O2/c1-4-16(15-11-7-6-8-12-15)19(22)20-17-13-9-10-14-18(17)21(3)5-2;3-2(4,5)1(6)7/h6-14,16H,4-5H2,1-3H3,(H,20,22);(H,6,7)
InChIKeyMSMRGKVBYBPFNA-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.91
Rot. Bonds6

About N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid

N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid (PubChem CID 51003799) has the molecular formula C21H25F3N2O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid
PubChem CID51003799
Molecular FormulaC21H25F3N2O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC NameN-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid
SMILESCCC(C(=O)Nc1ccccc1N(C)CC)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N2O.C2HF3O2/c1-4-16(15-11-7-6-8-12-15)19(22)20-17-13-9-10-14-18(17)21(3)5-2;3-2(4,5)1(6)7/h6-14,16H,4-5H2,1-3H3,(H,20,22);(H,6,7)
InChIKeyMSMRGKVBYBPFNA-UHFFFAOYSA-N
XLogP4.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid
CID 50985949
(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
N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7312055
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
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 111117119
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
CID 111336974

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid (CID 51003799) is N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid is CCC(C(=O)Nc1ccccc1N(C)CC)c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid?
The InChIKey is MSMRGKVBYBPFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.C2HF3O2/c1-4-16(15-11-7-6-8-12-15)19(22)20-17-13-9-10-14-18(17)21(3)5-2;3-2(4,5)1(6)7/h6-14,16H,4-5H2,1-3H3,(H,20,22);(H,6,7).
What are the key properties of N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid?
N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid has a molecular weight of 410.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 51003799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).