N-tert-butyl-2-ethyl-2-methylhexanamide

C13H27NO — CID 146411812

IUPACN-tert-butyl-2-ethyl-2-methylhexanamide
SMILESCCCCC(C)(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-9-10-13(6,8-2)11(15)14-12(3,4)5/h7-10H2,1-6H3,(H,14,15)
InChIKeySVBYGCRECUBKJN-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.51
Rot. Bonds5

About N-tert-butyl-2-ethyl-2-methylhexanamide

N-tert-butyl-2-ethyl-2-methylhexanamide (PubChem CID 146411812) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-methylhexanamide.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-methylhexanamide
PubChem CID146411812
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-tert-butyl-2-ethyl-2-methylhexanamide
SMILESCCCCC(C)(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-9-10-13(6,8-2)11(15)14-12(3,4)5/h7-10H2,1-6H3,(H,14,15)
InChIKeySVBYGCRECUBKJN-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-hydroxy-2-methylpentadecanamide
CID 138558679
(2R)-2-ethyl-2-methylhexanoate
CID 86308625
butyl 4-(tert-butylcarbamoyl)-2,2,4-trimethylhexanoate
CID 23528133
2-[(2-ethyl-2-methyloctanoyl)amino]-2-methylpropane-1-sulfonic acid
CID 134415224
2-butyl-2-methylhexanoic acid
CID 15930803
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid
CID 173344121
bis(2-ethyl-2-methylheptanoate);manganese(2+)
CID 138394983
2-hexyl-N-hydroxy-2-methyloctanamide
CID 170033401
2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide
CID 134590765
methyl 3-[(2-ethyl-2-methyloctanoyl)amino]propanoate
CID 135208354
[6-(tert-butylamino)-2,5,5-trimethyl-6-oxohexan-2-yl] 2-ethyl-2-methylbutanoate
CID 123518152

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-methylhexanamide?
The IUPAC name of N-tert-butyl-2-ethyl-2-methylhexanamide (CID 146411812) is N-tert-butyl-2-ethyl-2-methylhexanamide.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-methylhexanamide?
The canonical SMILES for N-tert-butyl-2-ethyl-2-methylhexanamide is CCCCC(C)(CC)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-2-methylhexanamide?
The InChIKey is SVBYGCRECUBKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-9-10-13(6,8-2)11(15)14-12(3,4)5/h7-10H2,1-6H3,(H,14,15).
What are the key properties of N-tert-butyl-2-ethyl-2-methylhexanamide?
N-tert-butyl-2-ethyl-2-methylhexanamide has a molecular weight of 213.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-methylhexanamide is sourced from PubChem (CID 146411812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).