N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide

C20H26N4O2 — CID 109009137

IUPACN-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H26N4O2/c1-23-11-13-24(14-12-23)18-7-3-16(4-8-18)21-15-20(25)22-17-5-9-19(26-2)10-6-17/h3-10,21H,11-15H2,1-2H3,(H,22,25)
InChIKeyRHQWBRRTODGPQA-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.50
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide

N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide (PubChem CID 109009137) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
PubChem CID109009137
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H26N4O2/c1-23-11-13-24(14-12-23)18-7-3-16(4-8-18)21-15-20(25)22-17-5-9-19(26-2)10-6-17/h3-10,21H,11-15H2,1-2H3,(H,22,25)
InChIKeyRHQWBRRTODGPQA-UHFFFAOYSA-N
XLogP2.50
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010179
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 108998649
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895
2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010682
N-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetamide
CID 83021572
N-(3-chloro-4-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008673
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 78807074
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008899
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide (CID 109009137) is N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide is COc1ccc(NC(=O)CNc2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
The InChIKey is RHQWBRRTODGPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23-11-13-24(14-12-23)18-7-3-16(4-8-18)21-15-20(25)22-17-5-9-19(26-2)10-6-17/h3-10,21H,11-15H2,1-2H3,(H,22,25).
What are the key properties of N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide is sourced from PubChem (CID 109009137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).