(3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide

C15H19F3N2O2 — CID 95273109

IUPAC(3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide
SMILESCN(C)C(=O)CCNC(=O)C[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-20(2)14(22)8-9-19-13(21)10-12(15(16,17)18)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyVCXWYYOVVXQHDO-GFCCVEGCSA-N
MW316.32 g/mol
LogP2.32
Rot. Bonds6

About (3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide

(3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide (PubChem CID 95273109) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide
PubChem CID95273109
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name(3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide
SMILESCN(C)C(=O)CCNC(=O)C[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-20(2)14(22)8-9-19-13(21)10-12(15(16,17)18)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyVCXWYYOVVXQHDO-GFCCVEGCSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-phenylbutanamide
CID 109380932
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide
CID 62878003
methyl (E)-4-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]but-2-enoate
CID 146099713
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119523136
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 122566906
(3S)-4,4,4-trifluoro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-3-phenylbutanamide
CID 95569006
N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide
CID 60551468
3-anilino-N,N-dimethylpropanamide
CID 60961994
4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide
CID 119557143
4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid
CID 119188017
N-[2-[[3-(dimethylamino)-3-oxopropyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 55959369

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide?
The IUPAC name of (3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide (CID 95273109) is (3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide?
The canonical SMILES for (3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide is CN(C)C(=O)CCNC(=O)C[C@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of (3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide?
The InChIKey is VCXWYYOVVXQHDO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-20(2)14(22)8-9-19-13(21)10-12(15(16,17)18)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide?
(3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide has a molecular weight of 316.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide is sourced from PubChem (CID 95273109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).