4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide

C21H26N2O2 — CID 48845732

IUPAC4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-13-11-14(2)18(15(3)12-13)22-19(24)16-7-9-17(10-8-16)20(25)23-21(4,5)6/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyFBWJQQYTELLJIK-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.39
Rot. Bonds3

About 4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide (PubChem CID 48845732) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
PubChem CID48845732
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-13-11-14(2)18(15(3)12-13)22-19(24)16-7-9-17(10-8-16)20(25)23-21(4,5)6/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyFBWJQQYTELLJIK-UHFFFAOYSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109048521
4-(ethylamino)-N-(2,4,6-trimethylphenyl)benzamide
CID 62186255
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 24663110
N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109049837
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177
N-tert-butyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109262869
1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109048639
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide (CID 48845732) is 4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide is Cc1cc(C)c(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1.
What is the InChIKey of 4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is FBWJQQYTELLJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-13-11-14(2)18(15(3)12-13)22-19(24)16-7-9-17(10-8-16)20(25)23-21(4,5)6/h7-12H,1-6H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 48845732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).