N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide

C16H25NO — CID 17168159

IUPACN-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C16H25NO/c1-10-8-11(2)14(12(3)9-10)15(18)17-13(4)16(5,6)7/h8-9,13H,1-7H3,(H,17,18)
InChIKeyJNFSKMBJBQIWPA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.78
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide

N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide (PubChem CID 17168159) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide
PubChem CID17168159
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C16H25NO/c1-10-8-11(2)14(12(3)9-10)15(18)17-13(4)16(5,6)7/h8-9,13H,1-7H3,(H,17,18)
InChIKeyJNFSKMBJBQIWPA-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(3,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 104853017
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 102705922
N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115622752
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide
CID 62092235
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 104829925
N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
CID 55243707
2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176641
(2R)-4-hydroxy-2-[(2,4,6-trimethylbenzoyl)amino]butanoic acid
CID 107823222
N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide
CID 122228652
N-[(2S)-1-[3-[(2S)-3,3-dimethyl-2-[(2,4,6-trimethylbenzoyl)amino]butoxy]-2-iodophenoxy]-3,3-dimethylbutan-2-yl]-2,4,6-trimethylbenzamide
CID 162402085
4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 115622756
N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide
CID 65031669

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide (CID 17168159) is N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NC(C)C(C)(C)C)c(C)c1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide?
The InChIKey is JNFSKMBJBQIWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-8-11(2)14(12(3)9-10)15(18)17-13(4)16(5,6)7/h8-9,13H,1-7H3,(H,17,18).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide?
N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide has a molecular weight of 247.38 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 17168159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).