3,4-ditert-butyl-N-methylbenzamide

C16H25NO — CID 146575850

IUPAC3,4-ditert-butyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-15(2,3)12-9-8-11(14(18)17-7)10-13(12)16(4,5)6/h8-10H,1-7H3,(H,17,18)
InChIKeySSPHEFLEDCXKAM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.64
Rot. Bonds1

About 3,4-ditert-butyl-N-methylbenzamide

3,4-ditert-butyl-N-methylbenzamide (PubChem CID 146575850) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3,4-ditert-butyl-N-methylbenzamide.

Molecular Properties

Compound Name3,4-ditert-butyl-N-methylbenzamide
PubChem CID146575850
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3,4-ditert-butyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-15(2,3)12-9-8-11(14(18)17-7)10-13(12)16(4,5)6/h8-10H,1-7H3,(H,17,18)
InChIKeySSPHEFLEDCXKAM-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3,4-ditert-butylbenzoate
CID 14173309
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
1,2-ditert-butyl-4-(1-methoxyethenyl)benzene
CID 167641415
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide
CID 55042364
tert-butyl 3-(methylcarbamoyl)benzoate
CID 138647614
N-methylbenzamide
CID 11954
4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394
cyclohexyl-(3,4-ditert-butylphenyl)methanone
CID 86188783
3-bromo-N-[4-[(3-bromo-4-tert-butylbenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3950836
4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 166428252
3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
CID 61325560

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-N-methylbenzamide?
The IUPAC name of 3,4-ditert-butyl-N-methylbenzamide (CID 146575850) is 3,4-ditert-butyl-N-methylbenzamide.
What is the SMILES notation for 3,4-ditert-butyl-N-methylbenzamide?
The canonical SMILES for 3,4-ditert-butyl-N-methylbenzamide is CNC(=O)c1ccc(C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 3,4-ditert-butyl-N-methylbenzamide?
The InChIKey is SSPHEFLEDCXKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,3)12-9-8-11(14(18)17-7)10-13(12)16(4,5)6/h8-10H,1-7H3,(H,17,18).
What are the key properties of 3,4-ditert-butyl-N-methylbenzamide?
3,4-ditert-butyl-N-methylbenzamide has a molecular weight of 247.38 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-N-methylbenzamide is sourced from PubChem (CID 146575850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).