3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide

C16H25NO — CID 90164942

IUPAC3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-11(2)10-17-15(18)13-7-12(3)8-14(9-13)16(4,5)6/h7-9,11H,10H2,1-6H3,(H,17,18)
InChIKeyWDIOOOIFGKPOER-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.68
Rot. Bonds3

About 3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide

3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide (PubChem CID 90164942) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide
PubChem CID90164942
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-11(2)10-17-15(18)13-7-12(3)8-14(9-13)16(4,5)6/h7-9,11H,10H2,1-6H3,(H,17,18)
InChIKeyWDIOOOIFGKPOER-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 91187790
2-amino-6-tert-butyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113380941
3,5-ditert-butyl-N-(3-hydroxy-2-methylpropyl)benzamide
CID 141127480
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 104852960
3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide
CID 27539196
3-tert-butyl-5-chloro-4-hydroxy-N-(2-methylpropyl)benzamide
CID 134123782
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
4-[(3,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 81065212
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66165173
3-tert-butyl-5-methylbenzamide
CID 59479391
3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906385

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide (CID 90164942) is 3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide is Cc1cc(C(=O)NCC(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is WDIOOOIFGKPOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)10-17-15(18)13-7-12(3)8-14(9-13)16(4,5)6/h7-9,11H,10H2,1-6H3,(H,17,18).
What are the key properties of 3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide?
3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 247.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 90164942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).