(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide

C20H22F3NO2 — CID 26006891

IUPAC(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide
SMILESCC[C@H](NC(=O)C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C20H22F3NO2/c1-3-17(15-11-9-14(2)10-12-15)24-18(25)13-19(26,20(21,22)23)16-7-5-4-6-8-16/h4-12,17,26H,3,13H2,1-2H3,(H,24,25)/t17-,19-/m0/s1
InChIKeyZSJKIRVAJQJDDQ-HKUYNNGSSA-N
MW365.40 g/mol
LogP4.40
Rot. Bonds6

About (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide

(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide (PubChem CID 26006891) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide
PubChem CID26006891
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide
SMILESCC[C@H](NC(=O)C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C20H22F3NO2/c1-3-17(15-11-9-14(2)10-12-15)24-18(25)13-19(26,20(21,22)23)16-7-5-4-6-8-16/h4-12,17,26H,3,13H2,1-2H3,(H,24,25)/t17-,19-/m0/s1
InChIKeyZSJKIRVAJQJDDQ-HKUYNNGSSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
CID 170020626
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838158
N-[1-(4-methylphenyl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604429
2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 78912710
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7852887
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
CID 113250858
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
CID 94027994

Frequently Asked Questions

What is the IUPAC name of (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide?
The IUPAC name of (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide (CID 26006891) is (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide.
What is the SMILES notation for (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide?
The canonical SMILES for (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide is CC[C@H](NC(=O)C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide?
The InChIKey is ZSJKIRVAJQJDDQ-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-3-17(15-11-9-14(2)10-12-15)24-18(25)13-19(26,20(21,22)23)16-7-5-4-6-8-16/h4-12,17,26H,3,13H2,1-2H3,(H,24,25)/t17-,19-/m0/s1.
What are the key properties of (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide?
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide has a molecular weight of 365.40 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S)-1-(4-methylphenyl)propyl]-3-phenylbutanamide is sourced from PubChem (CID 26006891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).