N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide

C20H23NO2 — CID 94322030

IUPACN-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H23NO2/c1-14(2)16-6-8-17(9-7-16)19(22)12-13-20(23)21-18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyCLJTUHVJDYSFFJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.72
Rot. Bonds6

About N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide

N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide (PubChem CID 94322030) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
PubChem CID94322030
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H23NO2/c1-14(2)16-6-8-17(9-7-16)19(22)12-13-20(23)21-18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyCLJTUHVJDYSFFJ-UHFFFAOYSA-N
XLogP4.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34317120
3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 109019987
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969055
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
CID 3937721
3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109035687
propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 26716884

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide (CID 94322030) is N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide is Cc1ccc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide?
The InChIKey is CLJTUHVJDYSFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14(2)16-6-8-17(9-7-16)19(22)12-13-20(23)21-18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide?
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide has a molecular weight of 309.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 94322030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).