(3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium

C14H20NO3Y- — CID 59712847

IUPAC(3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium
SMILES[CH2-][C@H](O)C[C@H](O)CC(=O)N[C@@H](C)c1ccccc1.[Y]
InChIInChI=1S/C14H20NO3.Y/c1-10(16)8-13(17)9-14(18)15-11(2)12-6-4-3-5-7-12;/h3-7,10-11,13,16-17H,1,8-9H2,2H3,(H,15,18);/q-1;/t10-,11-,13-;/m0./s1
InChIKeyWHXHNZRFHPPRJI-SQRKDXEHSA-N
MW339.22 g/mol
LogP1.20
Rot. Bonds6

About (3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium

(3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium (PubChem CID 59712847) has the molecular formula C14H20NO3Y- and a molecular weight of 339.22 g/mol. Its IUPAC name is (3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium.

Molecular Properties

Compound Name(3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium
PubChem CID59712847
Molecular FormulaC14H20NO3Y-
Molecular Weight339.22 g/mol
Exact Mass339.05
IUPAC Name(3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium
SMILES[CH2-][C@H](O)C[C@H](O)CC(=O)N[C@@H](C)c1ccccc1.[Y]
InChIInChI=1S/C14H20NO3.Y/c1-10(16)8-13(17)9-14(18)15-11(2)12-6-4-3-5-7-12;/h3-7,10-11,13,16-17H,1,8-9H2,2H3,(H,15,18);/q-1;/t10-,11-,13-;/m0./s1
InChIKeyWHXHNZRFHPPRJI-SQRKDXEHSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
(3S)-4,4,4-trichloro-3-hydroxy-N-[(1R)-1-phenylethyl]butanamide
CID 2412800
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
5-methyl-3-[2-oxo-2-(1-phenylethylamino)ethyl]hexanoic acid
CID 59855513
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
N-(1-phenylethyl)-3-trimethylsilylbutanamide
CID 101207602
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
(3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate
CID 7321191
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium?
The IUPAC name of (3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium (CID 59712847) is (3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium.
What is the SMILES notation for (3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium?
The canonical SMILES for (3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium is [CH2-][C@H](O)C[C@H](O)CC(=O)N[C@@H](C)c1ccccc1.[Y].
What is the InChIKey of (3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium?
The InChIKey is WHXHNZRFHPPRJI-SQRKDXEHSA-N. The full InChI is InChI=1S/C14H20NO3.Y/c1-10(16)8-13(17)9-14(18)15-11(2)12-6-4-3-5-7-12;/h3-7,10-11,13,16-17H,1,8-9H2,2H3,(H,15,18);/q-1;/t10-,11-,13-;/m0./s1.
What are the key properties of (3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium?
(3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium has a molecular weight of 339.22 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hexanamide;yttrium is sourced from PubChem (CID 59712847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).