4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide

C20H25NO — CID 1226062

IUPAC4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO/c1-6-15-9-7-8-14(2)18(15)21-19(22)16-10-12-17(13-11-16)20(3,4)5/h7-13H,6H2,1-5H3,(H,21,22)
InChIKeyWNEKTIDGVCFKAB-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.11
Rot. Bonds3

About 4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide

4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide (PubChem CID 1226062) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
PubChem CID1226062
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO/c1-6-15-9-7-8-14(2)18(15)21-19(22)16-10-12-17(13-11-16)20(3,4)5/h7-13H,6H2,1-5H3,(H,21,22)
InChIKeyWNEKTIDGVCFKAB-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 82179459
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
6-amino-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 62153379
3-amino-4-bromo-N-(2-ethyl-6-methylphenyl)benzamide
CID 61090453
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide (CID 1226062) is 4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide is CCc1cccc(C)c1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide?
The InChIKey is WNEKTIDGVCFKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-6-15-9-7-8-14(2)18(15)21-19(22)16-10-12-17(13-11-16)20(3,4)5/h7-13H,6H2,1-5H3,(H,21,22).
What are the key properties of 4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide?
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide has a molecular weight of 295.43 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide is sourced from PubChem (CID 1226062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).