2-tert-butyl-6-(2,2-dimethylpropyl)benzamide

C16H25NO — CID 66973629

IUPAC2-tert-butyl-6-(2,2-dimethylpropyl)benzamide
SMILESCC(C)(C)Cc1cccc(C(C)(C)C)c1C(N)=O
InChIInChI=1S/C16H25NO/c1-15(2,3)10-11-8-7-9-12(16(4,5)6)13(11)14(17)18/h7-9H,10H2,1-6H3,(H2,17,18)
InChIKeyOQGGDKNIOJTGPW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.67
Rot. Bonds2

About 2-tert-butyl-6-(2,2-dimethylpropyl)benzamide

2-tert-butyl-6-(2,2-dimethylpropyl)benzamide (PubChem CID 66973629) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name2-tert-butyl-6-(2,2-dimethylpropyl)benzamide
PubChem CID66973629
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-tert-butyl-6-(2,2-dimethylpropyl)benzamide
SMILESCC(C)(C)Cc1cccc(C(C)(C)C)c1C(N)=O
InChIInChI=1S/C16H25NO/c1-15(2,3)10-11-8-7-9-12(16(4,5)6)13(11)14(17)18/h7-9H,10H2,1-6H3,(H2,17,18)
InChIKeyOQGGDKNIOJTGPW-UHFFFAOYSA-N
XLogP3.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2,6-ditert-butylphenyl)methanone
CID 154326644
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide
CID 18630159
2-(3-hydroxypropyl)-6-(trifluoromethyl)benzamide
CID 173040109
1-tert-butyl-2-tert-butylsulfanylbenzene;1-tert-butyl-2-(2,2-dimethylpropyl)benzene
CID 160876364
2-tert-butyl-3-(chloromethyl)benzamide
CID 68727672
bis[2-(2-tert-butylphenyl)ethyl] carbonate
CID 67162129
2-(3-tert-butyl-2-methoxyphenyl)acetic acid
CID 21199434
1-(2-tert-butylphenyl)-2-methylpropan-2-amine
CID 84778784
2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol
CID 12617722
3-tert-butyl-2-carboxyphenolate
CID 54716567
1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 121403127

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,2-dimethylpropyl)benzamide?
The IUPAC name of 2-tert-butyl-6-(2,2-dimethylpropyl)benzamide (CID 66973629) is 2-tert-butyl-6-(2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 2-tert-butyl-6-(2,2-dimethylpropyl)benzamide?
The canonical SMILES for 2-tert-butyl-6-(2,2-dimethylpropyl)benzamide is CC(C)(C)Cc1cccc(C(C)(C)C)c1C(N)=O.
What is the InChIKey of 2-tert-butyl-6-(2,2-dimethylpropyl)benzamide?
The InChIKey is OQGGDKNIOJTGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)10-11-8-7-9-12(16(4,5)6)13(11)14(17)18/h7-9H,10H2,1-6H3,(H2,17,18).
What are the key properties of 2-tert-butyl-6-(2,2-dimethylpropyl)benzamide?
2-tert-butyl-6-(2,2-dimethylpropyl)benzamide has a molecular weight of 247.38 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 66973629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).