2-tert-butyl-2-methylhexanamide

C11H23NO — CID 175947607

IUPAC2-tert-butyl-2-methylhexanamide
SMILESCCCCC(C)(C(N)=O)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-6-7-8-11(5,9(12)13)10(2,3)4/h6-8H2,1-5H3,(H2,12,13)
InChIKeyOVSOMLRLZWJFLF-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.71
Rot. Bonds4

About 2-tert-butyl-2-methylhexanamide

2-tert-butyl-2-methylhexanamide (PubChem CID 175947607) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-tert-butyl-2-methylhexanamide.

Molecular Properties

Compound Name2-tert-butyl-2-methylhexanamide
PubChem CID175947607
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-tert-butyl-2-methylhexanamide
SMILESCCCCC(C)(C(N)=O)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-6-7-8-11(5,9(12)13)10(2,3)4/h6-8H2,1-5H3,(H2,12,13)
InChIKeyOVSOMLRLZWJFLF-UHFFFAOYSA-N
XLogP2.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldecanamide
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2,2,4,4-tetramethyloctanamide
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2-butyl-2-(5-carbamoylnonan-5-ylamino)hexanamide
CID 173317820
2-ethyl-2-hydroxyhexanamide
CID 18943167
N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-propylhexanamide
CID 130279567
2,2,3,3-tetrabutylhexanediamide
CID 18792229
2-hydroxyethyl 2,2-dimethylhexanoate
CID 59773865
2-ethyl-2-methylpentanamide
CID 22376566
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
6-hydroxy-2,2-dimethylhexanamide
CID 21402976
2-amino-2-methyltetradecanamide
CID 175155192

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-methylhexanamide?
The IUPAC name of 2-tert-butyl-2-methylhexanamide (CID 175947607) is 2-tert-butyl-2-methylhexanamide.
What is the SMILES notation for 2-tert-butyl-2-methylhexanamide?
The canonical SMILES for 2-tert-butyl-2-methylhexanamide is CCCCC(C)(C(N)=O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-methylhexanamide?
The InChIKey is OVSOMLRLZWJFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-7-8-11(5,9(12)13)10(2,3)4/h6-8H2,1-5H3,(H2,12,13).
What are the key properties of 2-tert-butyl-2-methylhexanamide?
2-tert-butyl-2-methylhexanamide has a molecular weight of 185.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-methylhexanamide is sourced from PubChem (CID 175947607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).