(3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide

C14H18F3NO3 — CID 23655659

IUPAC(3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide
SMILESC[C@H](NC(=O)C[C@](O)(CCO)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H18F3NO3/c1-10(11-5-3-2-4-6-11)18-12(20)9-13(21,7-8-19)14(15,16)17/h2-6,10,19,21H,7-9H2,1H3,(H,18,20)/t10-,13+/m0/s1
InChIKeyVSSKZMQWKRDWEL-GXFFZTMASA-N
MW305.30 g/mol
LogP1.93
Rot. Bonds6

About (3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide

(3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide (PubChem CID 23655659) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is (3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name(3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide
PubChem CID23655659
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name(3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide
SMILESC[C@H](NC(=O)C[C@](O)(CCO)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H18F3NO3/c1-10(11-5-3-2-4-6-11)18-12(20)9-13(21,7-8-19)14(15,16)17/h2-6,10,19,21H,7-9H2,1H3,(H,18,20)/t10-,13+/m0/s1
InChIKeyVSSKZMQWKRDWEL-GXFFZTMASA-N
XLogP1.93
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide
CID 23655658
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 8865880
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid
CID 78948228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 40795474
2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide
CID 14877204
2,2,3,3,3-pentafluoro-N-(1-phenylethyl)propanamide
CID 4153379
(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 10967206
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide?
The IUPAC name of (3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide (CID 23655659) is (3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide.
What is the SMILES notation for (3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide?
The canonical SMILES for (3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide is C[C@H](NC(=O)C[C@](O)(CCO)C(F)(F)F)c1ccccc1.
What is the InChIKey of (3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide?
The InChIKey is VSSKZMQWKRDWEL-GXFFZTMASA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-10(11-5-3-2-4-6-11)18-12(20)9-13(21,7-8-19)14(15,16)17/h2-6,10,19,21H,7-9H2,1H3,(H,18,20)/t10-,13+/m0/s1.
What are the key properties of (3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide?
(3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide has a molecular weight of 305.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide is sourced from PubChem (CID 23655659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).