2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide

C23H30N4O2 — CID 113177416

IUPAC2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)cc1C)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-17-5-10-22(18(2)15-17)24-23(29)16-27(19(3)28)21-8-6-20(7-9-21)26-13-11-25(4)12-14-26/h5-10,15H,11-14,16H2,1-4H3,(H,24,29)
InChIKeyGRNLGGVVNKFAAL-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.05
Rot. Bonds5

About 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide

2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 113177416) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID113177416
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)cc1C)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-17-5-10-22(18(2)15-17)24-23(29)16-27(19(3)28)21-8-6-20(7-9-21)26-13-11-25(4)12-14-26/h5-10,15H,11-14,16H2,1-4H3,(H,24,29)
InChIKeyGRNLGGVVNKFAAL-UHFFFAOYSA-N
XLogP3.05
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-2,4-dimethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113168004
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113177176
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109035128
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113177050
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113177382
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113177074
2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113167414
3-(2,4-dimethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109035216
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113177048
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113172713
3-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]propanoic acid
CID 82320447
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide (CID 113177416) is 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C)cc1C)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is GRNLGGVVNKFAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-5-10-22(18(2)15-17)24-23(29)16-27(19(3)28)21-8-6-20(7-9-21)26-13-11-25(4)12-14-26/h5-10,15H,11-14,16H2,1-4H3,(H,24,29).
What are the key properties of 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide?
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 113177416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).