N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide

C22H28N2O2 — CID 24647268

IUPACN-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-15-6-7-17(16(2)14-15)8-13-20(25)23-18-9-11-19(12-10-18)24-21(26)22(3,4)5/h6-7,9-12,14H,8,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyZOFOLJJHHPVWLA-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.86
Rot. Bonds5

About N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide

N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide (PubChem CID 24647268) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide
PubChem CID24647268
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-15-6-7-17(16(2)14-15)8-13-20(25)23-18-9-11-19(12-10-18)24-21(26)22(3,4)5/h6-7,9-12,14H,8,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyZOFOLJJHHPVWLA-UHFFFAOYSA-N
XLogP4.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 33155134
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
3-[3-(2,4-dimethylphenyl)propanoylamino]-N-methylbenzamide
CID 24620392
3-[3-(2,4-dimethylphenyl)propanoylamino]-5-methylsulfonylbenzoic acid
CID 119257783
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120566818
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide
CID 24647281
3-(2,4-dimethylphenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
CID 60570734
1-amino-4-(2,4-dimethylphenyl)butan-2-one
CID 82281462

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide (CID 24647268) is N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide is Cc1ccc(CCC(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)c(C)c1.
What is the InChIKey of N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is ZOFOLJJHHPVWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-6-7-17(16(2)14-15)8-13-20(25)23-18-9-11-19(12-10-18)24-21(26)22(3,4)5/h6-7,9-12,14H,8,13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide?
N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24647268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).