3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide

C15H20F3NO2 — CID 155262162

IUPAC3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide
SMILESCCCN(CCCc1ccccc1)C(=O)C(O)C(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-2-10-19(14(21)13(20)15(16,17)18)11-6-9-12-7-4-3-5-8-12/h3-5,7-8,13,20H,2,6,9-11H2,1H3
InChIKeyPVBFAVWGMKUIMI-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.78
Rot. Bonds7

About 3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide

3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide (PubChem CID 155262162) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide
PubChem CID155262162
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide
SMILESCCCN(CCCc1ccccc1)C(=O)C(O)C(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-2-10-19(14(21)13(20)15(16,17)18)11-6-9-12-7-4-3-5-8-12/h3-5,7-8,13,20H,2,6,9-11H2,1H3
InChIKeyPVBFAVWGMKUIMI-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide (CID 155262162) is 3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide is CCCN(CCCc1ccccc1)C(=O)C(O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide?
The InChIKey is PVBFAVWGMKUIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-10-19(14(21)13(20)15(16,17)18)11-6-9-12-7-4-3-5-8-12/h3-5,7-8,13,20H,2,6,9-11H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide?
3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide has a molecular weight of 303.32 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide is sourced from PubChem (CID 155262162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).