N-tert-butyl-N-(4-tert-butylphenyl)benzamide

C21H27NO — CID 517588

IUPACN-tert-butyl-N-(4-tert-butylphenyl)benzamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C21H27NO/c1-20(2,3)17-12-14-18(15-13-17)22(21(4,5)6)19(23)16-10-8-7-9-11-16/h7-15H,1-6H3
InChIKeyUPVMUZDIHKYDAL-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.43
Rot. Bonds2

About N-tert-butyl-N-(4-tert-butylphenyl)benzamide

N-tert-butyl-N-(4-tert-butylphenyl)benzamide (PubChem CID 517588) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-tert-butyl-N-(4-tert-butylphenyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-N-(4-tert-butylphenyl)benzamide
PubChem CID517588
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-tert-butyl-N-(4-tert-butylphenyl)benzamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C21H27NO/c1-20(2,3)17-12-14-18(15-13-17)22(21(4,5)6)19(23)16-10-8-7-9-11-16/h7-15H,1-6H3
InChIKeyUPVMUZDIHKYDAL-UHFFFAOYSA-N
XLogP5.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide
CID 177290710
N-bromo-N-tert-butylbenzamide
CID 141466989
1-tert-butyl-1-phenylurea
CID 19102233
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
N,4-ditert-butyl-N-phenylaniline
CID 91172141
acetic acid;N-tert-butyl-N-hydroxybenzamide
CID 162308139
4-tert-butyl-N,N-diphenylaniline
CID 11312667
N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide
CID 42703438
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
CID 43056971
2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 3524909
4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide
CID 9479496
4-[acetyl(benzoyl)amino]benzoic acid
CID 138333706

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(4-tert-butylphenyl)benzamide?
The IUPAC name of N-tert-butyl-N-(4-tert-butylphenyl)benzamide (CID 517588) is N-tert-butyl-N-(4-tert-butylphenyl)benzamide.
What is the SMILES notation for N-tert-butyl-N-(4-tert-butylphenyl)benzamide?
The canonical SMILES for N-tert-butyl-N-(4-tert-butylphenyl)benzamide is CC(C)(C)c1ccc(N(C(=O)c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-N-(4-tert-butylphenyl)benzamide?
The InChIKey is UPVMUZDIHKYDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-20(2,3)17-12-14-18(15-13-17)22(21(4,5)6)19(23)16-10-8-7-9-11-16/h7-15H,1-6H3.
What are the key properties of N-tert-butyl-N-(4-tert-butylphenyl)benzamide?
N-tert-butyl-N-(4-tert-butylphenyl)benzamide has a molecular weight of 309.45 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(4-tert-butylphenyl)benzamide is sourced from PubChem (CID 517588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).