N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide

C23H30N4O2 — CID 17493433

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H30N4O2/c1-18-9-10-19(2)21(15-18)24-22(28)16-25(3)23(29)17-26-11-13-27(14-12-26)20-7-5-4-6-8-20/h4-10,15H,11-14,16-17H2,1-3H3,(H,24,28)
InChIKeySBMNOBUHBOZVPG-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 17493433) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID17493433
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H30N4O2/c1-18-9-10-19(2)21(15-18)24-22(28)16-25(3)23(29)17-26-11-13-27(14-12-26)20-7-5-4-6-8-20/h4-10,15H,11-14,16-17H2,1-3H3,(H,24,28)
InChIKeySBMNOBUHBOZVPG-UHFFFAOYSA-N
XLogP2.52
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9033807
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 17486565
2-(2,3-dihydroindol-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9028083
N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693
N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide
CID 112841143
4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9479837
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 17464561
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 25408858
benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9035467
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975527
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide (CID 17493433) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is SBMNOBUHBOZVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-9-10-19(2)21(15-18)24-22(28)16-25(3)23(29)17-26-11-13-27(14-12-26)20-7-5-4-6-8-20/h4-10,15H,11-14,16-17H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 17493433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).