(2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide

C14H27NO3 — CID 58491825

IUPAC(2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide
SMILESCC(C)(C)NC(=O)[C@@H](O)CCCC(=O)C(C)(C)C
InChIInChI=1S/C14H27NO3/c1-13(2,3)11(17)9-7-8-10(16)12(18)15-14(4,5)6/h10,16H,7-9H2,1-6H3,(H,15,18)/t10-/m0/s1
InChIKeyBIQWYUOSSJOWNJ-JTQLQIEISA-N
MW257.37 g/mol
LogP2.05
Rot. Bonds5

About (2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide

(2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide (PubChem CID 58491825) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide
PubChem CID58491825
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide
SMILESCC(C)(C)NC(=O)[C@@H](O)CCCC(=O)C(C)(C)C
InChIInChI=1S/C14H27NO3/c1-13(2,3)11(17)9-7-8-10(16)12(18)15-14(4,5)6/h10,16H,7-9H2,1-6H3,(H,15,18)/t10-/m0/s1
InChIKeyBIQWYUOSSJOWNJ-JTQLQIEISA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide?
The IUPAC name of (2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide (CID 58491825) is (2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide is CC(C)(C)NC(=O)[C@@H](O)CCCC(=O)C(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide?
The InChIKey is BIQWYUOSSJOWNJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,3)11(17)9-7-8-10(16)12(18)15-14(4,5)6/h10,16H,7-9H2,1-6H3,(H,15,18)/t10-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide?
(2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide has a molecular weight of 257.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-hydroxy-7,7-dimethyl-6-oxooctanamide is sourced from PubChem (CID 58491825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).