N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide

C19H23NO — CID 4028729

IUPACN-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C19H23NO/c1-5-14(3)16-7-9-17(10-8-16)20-19(21)18-11-6-13(2)12-15(18)4/h6-12,14H,5H2,1-4H3,(H,20,21)
InChIKeyKZDOBHAYRINLLL-UHFFFAOYSA-N
MW281.40 g/mol
LogP5.07
Rot. Bonds4

About N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide

N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide (PubChem CID 4028729) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
PubChem CID4028729
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C19H23NO/c1-5-14(3)16-7-9-17(10-8-16)20-19(21)18-11-6-13(2)12-15(18)4/h6-12,14H,5H2,1-4H3,(H,20,21)
InChIKeyKZDOBHAYRINLLL-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 81481600
2-bromo-N-(4-butan-2-ylphenyl)-3-methylbenzamide
CID 107982420
N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
CID 966188
N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352261
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 1396065
N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide
CID 62302184
N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 9393889
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide (CID 4028729) is N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide is CCC(C)c1ccc(NC(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide?
The InChIKey is KZDOBHAYRINLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-5-14(3)16-7-9-17(10-8-16)20-19(21)18-11-6-13(2)12-15(18)4/h6-12,14H,5H2,1-4H3,(H,20,21).
What are the key properties of N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide?
N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide has a molecular weight of 281.40 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 4028729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).