(2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide

C13H27NO2 — CID 56956848

IUPAC(2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)NCC[C@@H](C)C[C@H](C)CO
InChIInChI=1S/C13H27NO2/c1-5-12(4)13(16)14-7-6-10(2)8-11(3)9-15/h10-12,15H,5-9H2,1-4H3,(H,14,16)/t10-,11+,12-/m1/s1
InChIKeyUNUGFBITGXERNR-GRYCIOLGSA-N
MW229.36 g/mol
LogP2.19
Rot. Bonds8

About (2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide

(2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide (PubChem CID 56956848) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide
PubChem CID56956848
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)NCC[C@@H](C)C[C@H](C)CO
InChIInChI=1S/C13H27NO2/c1-5-12(4)13(16)14-7-6-10(2)8-11(3)9-15/h10-12,15H,5-9H2,1-4H3,(H,14,16)/t10-,11+,12-/m1/s1
InChIKeyUNUGFBITGXERNR-GRYCIOLGSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide (CID 56956848) is (2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide is CC[C@@H](C)C(=O)NCC[C@@H](C)C[C@H](C)CO.
What is the InChIKey of (2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide?
The InChIKey is UNUGFBITGXERNR-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-12(4)13(16)14-7-6-10(2)8-11(3)9-15/h10-12,15H,5-9H2,1-4H3,(H,14,16)/t10-,11+,12-/m1/s1.
What are the key properties of (2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide?
(2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide has a molecular weight of 229.36 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide is sourced from PubChem (CID 56956848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).