(3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide

C16H20F3NO — CID 95336409

IUPAC(3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide
SMILESC[C@@H](C1CC1)N(C)C(=O)C[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H20F3NO/c1-11(12-8-9-12)20(2)15(21)10-14(16(17,18)19)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyUEHYBLBLTBWAPM-SMDDNHRTSA-N
MW299.34 g/mol
LogP3.98
Rot. Bonds5

About (3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide

(3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide (PubChem CID 95336409) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide
PubChem CID95336409
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name(3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide
SMILESC[C@@H](C1CC1)N(C)C(=O)C[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H20F3NO/c1-11(12-8-9-12)20(2)15(21)10-14(16(17,18)19)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyUEHYBLBLTBWAPM-SMDDNHRTSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43568611
(3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide
CID 95273109
N-(1-cyclopropylethyl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide
CID 51078914
2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 75472228
N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 51547425
phenyl N-(1-cyclopropylethyl)-N-methylcarbamate
CID 60724808
N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119574021
(4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one
CID 166443210
1-[(3R)-3-aminopyrrolidin-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 119411236
N-(1-cyclopropylethyl)-N-methyl-3-phenyl-2-sulfanylpropanamide
CID 107023150
(2R)-2-amino-N-(1-cyclopropylethyl)-N-methyl-3-phenylpropanamide
CID 78985501
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119590512

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide?
The IUPAC name of (3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide (CID 95336409) is (3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide?
The canonical SMILES for (3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide is C[C@@H](C1CC1)N(C)C(=O)C[C@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of (3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide?
The InChIKey is UEHYBLBLTBWAPM-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-11(12-8-9-12)20(2)15(21)10-14(16(17,18)19)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of (3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide?
(3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide has a molecular weight of 299.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-cyclopropylethyl]-4,4,4-trifluoro-N-methyl-3-phenylbutanamide is sourced from PubChem (CID 95336409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).