N-(4-tert-butylphenyl)-2,4-dimethylbenzamide

C19H23NO — CID 953234

IUPACN-(4-tert-butylphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C19H23NO/c1-13-6-11-17(14(2)12-13)18(21)20-16-9-7-15(8-10-16)19(3,4)5/h6-12H,1-5H3,(H,20,21)
InChIKeyOKXZGWFALIBJCU-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.85
Rot. Bonds2

About N-(4-tert-butylphenyl)-2,4-dimethylbenzamide

N-(4-tert-butylphenyl)-2,4-dimethylbenzamide (PubChem CID 953234) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2,4-dimethylbenzamide
PubChem CID953234
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(4-tert-butylphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C19H23NO/c1-13-6-11-17(14(2)12-13)18(21)20-16-9-7-15(8-10-16)19(3,4)5/h6-12H,1-5H3,(H,20,21)
InChIKeyOKXZGWFALIBJCU-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide
CID 70682694
2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide
CID 62302184
2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
CID 65307677
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
CID 4028729
1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
CID 67816317
N-(4-chloro-3-hydroxyphenyl)-2,4-dimethylbenzamide
CID 64788271

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(4-tert-butylphenyl)-2,4-dimethylbenzamide (CID 953234) is N-(4-tert-butylphenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-2,4-dimethylbenzamide?
The InChIKey is OKXZGWFALIBJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-6-11-17(14(2)12-13)18(21)20-16-9-7-15(8-10-16)19(3,4)5/h6-12H,1-5H3,(H,20,21).
What are the key properties of N-(4-tert-butylphenyl)-2,4-dimethylbenzamide?
N-(4-tert-butylphenyl)-2,4-dimethylbenzamide has a molecular weight of 281.40 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 953234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).