N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

C21H24N4O4 — CID 5344744

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C21H24N4O4/c1-28-17-9-7-16(8-10-17)15-22-23-20(26)21(27)25-13-11-24(12-14-25)18-5-3-4-6-19(18)29-2/h3-10,15H,11-14H2,1-2H3,(H,23,26)/b22-15+
InChIKeyRFWAKAPUKTTWFB-PXLXIMEGSA-N
MW396.45 g/mol
LogP1.50
Rot. Bonds5

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 5344744) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID5344744
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C21H24N4O4/c1-28-17-9-7-16(8-10-17)15-22-23-20(26)21(27)25-13-11-24(12-14-25)18-5-3-4-6-19(18)29-2/h3-10,15H,11-14H2,1-2H3,(H,23,26)/b22-15+
InChIKeyRFWAKAPUKTTWFB-PXLXIMEGSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide 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-[(2E)-2-(2-methoxybenzylidene)hydrazino]-2-oxo-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 9597156
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
N-(2-bromo-3-phenyl-2-propen-1-ylidene)-4-(2-methoxyphenyl)-1-piperazinamine
CID 5558381
N'-(5-isopropenyl-2-methylcyclohex-2-en-1-ylidene)-2-(2-methoxyanilino)acetohydrazide
CID 9695436
4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-5-propionyl-2H-pyridazin-3-one
CID 10005161
5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10074286
5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10434440
4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10916771
5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-6-phenyl-2H-pyridazin-3-one
CID 44294569
N-[(E)-[(E)-3-(3-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 162659179
N-[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 162668149
5-{4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl}-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one (12)
CID 118009701

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 5344744) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is RFWAKAPUKTTWFB-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-28-17-9-7-16(8-10-17)15-22-23-20(26)21(27)25-13-11-24(12-14-25)18-5-3-4-6-19(18)29-2/h3-10,15H,11-14H2,1-2H3,(H,23,26)/b22-15+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 396.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 5344744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).