(2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide

C13H27NO3 — CID 138115493

IUPAC(2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide
SMILESCCCCCCC[C@@H](O)C(=O)NC(C)(C)CO
InChIInChI=1S/C13H27NO3/c1-4-5-6-7-8-9-11(16)12(17)14-13(2,3)10-15/h11,15-16H,4-10H2,1-3H3,(H,14,17)/t11-/m1/s1
InChIKeyXPRNGJZUMSSQFV-LLVKDONJSA-N
MW245.36 g/mol
LogP1.59
Rot. Bonds9

About (2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide

(2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide (PubChem CID 138115493) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide
PubChem CID138115493
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name(2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide
SMILESCCCCCCC[C@@H](O)C(=O)NC(C)(C)CO
InChIInChI=1S/C13H27NO3/c1-4-5-6-7-8-9-11(16)12(17)14-13(2,3)10-15/h11,15-16H,4-10H2,1-3H3,(H,14,17)/t11-/m1/s1
InChIKeyXPRNGJZUMSSQFV-LLVKDONJSA-N
XLogP1.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide?
The IUPAC name of (2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide (CID 138115493) is (2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide?
The canonical SMILES for (2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide is CCCCCCC[C@@H](O)C(=O)NC(C)(C)CO.
What is the InChIKey of (2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide?
The InChIKey is XPRNGJZUMSSQFV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H27NO3/c1-4-5-6-7-8-9-11(16)12(17)14-13(2,3)10-15/h11,15-16H,4-10H2,1-3H3,(H,14,17)/t11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide?
(2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide has a molecular weight of 245.36 g/mol, XLogP of 1.59, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)nonanamide is sourced from PubChem (CID 138115493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).