N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid

C17H23F3N2O3 — CID 167810797

IUPACN-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
SMILESCC1(C)CNCC1NC(=O)CCc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N2O.C2HF3O2/c1-15(2)11-16-10-13(15)17-14(18)9-8-12-6-4-3-5-7-12;3-2(4,5)1(6)7/h3-7,13,16H,8-11H2,1-2H3,(H,17,18);(H,6,7)
InChIKeyVYYCVLGFZSAZIB-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.37
Rot. Bonds4

About N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid

N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 167810797) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID167810797
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC NameN-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
SMILESCC1(C)CNCC1NC(=O)CCc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N2O.C2HF3O2/c1-15(2)11-16-10-13(15)17-14(18)9-8-12-6-4-3-5-7-12;3-2(4,5)1(6)7/h3-7,13,16H,8-11H2,1-2H3,(H,17,18);(H,6,7)
InChIKeyVYYCVLGFZSAZIB-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43594407
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CID 83209928
3-phenyl-N-piperidin-4-ylpropanamide
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CID 107003801
N-(4-methylcyclohexyl)-3-phenylpropanamide
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N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
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N-(2-tert-butylcyclohexyl)-3-phenylpropanamide
CID 17147377
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934
3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide
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4-[3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]-3-oxopropyl]benzoic acid
CID 119187197
3-methyl-4-[3-(4-methylphenyl)propanoylamino]oxolane-3-carboxylic acid
CID 66255665
N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691820

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid (CID 167810797) is N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid is CC1(C)CNCC1NC(=O)CCc1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is VYYCVLGFZSAZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C2HF3O2/c1-15(2)11-16-10-13(15)17-14(18)9-8-12-6-4-3-5-7-12;3-2(4,5)1(6)7/h3-7,13,16H,8-11H2,1-2H3,(H,17,18);(H,6,7).
What are the key properties of N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid?
N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 360.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167810797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).