N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide

C12H25NO2 — CID 134417525

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide
SMILESCCCC(C)CC(=O)NC(C)(C)CCO
InChIInChI=1S/C12H25NO2/c1-5-6-10(2)9-11(15)13-12(3,4)7-8-14/h10,14H,5-9H2,1-4H3,(H,13,15)
InChIKeyWCJUGTXJTFCDKU-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds7

About N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide

N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide (PubChem CID 134417525) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide
PubChem CID134417525
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide
SMILESCCCC(C)CC(=O)NC(C)(C)CCO
InChIInChI=1S/C12H25NO2/c1-5-6-10(2)9-11(15)13-12(3,4)7-8-14/h10,14H,5-9H2,1-4H3,(H,13,15)
InChIKeyWCJUGTXJTFCDKU-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide (CID 134417525) is N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide is CCCC(C)CC(=O)NC(C)(C)CCO.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide?
The InChIKey is WCJUGTXJTFCDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-6-10(2)9-11(15)13-12(3,4)7-8-14/h10,14H,5-9H2,1-4H3,(H,13,15).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide?
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide has a molecular weight of 215.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-3-methylhexanamide is sourced from PubChem (CID 134417525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).