N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

C20H22N4O4 — CID 5344753

IUPACN-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc(O)c2)CC1
InChIInChI=1S/C20H22N4O4/c1-28-18-8-3-2-7-17(18)23-9-11-24(12-10-23)20(27)19(26)22-21-14-15-5-4-6-16(25)13-15/h2-8,13-14,25H,9-12H2,1H3,(H,22,26)/b21-14+
InChIKeyVLLCNLYJLFSNQO-KGENOOAVSA-N
MW382.42 g/mol
LogP1.20
Rot. Bonds4

About N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 5344753) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID5344753
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc(O)c2)CC1
InChIInChI=1S/C20H22N4O4/c1-28-18-8-3-2-7-17(18)23-9-11-24(12-10-23)20(27)19(26)22-21-14-15-5-4-6-16(25)13-15/h2-8,13-14,25H,9-12H2,1H3,(H,22,26)/b21-14+
InChIKeyVLLCNLYJLFSNQO-KGENOOAVSA-N
XLogP1.20
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
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'}

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Related Compounds

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
4-[(E)-{[4-(2-methoxyphenyl)piperazin-1-yl]imino}methyl]benzene-1,2-diol
CID 135455093
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 4890287
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 5344744
N'-(2-methoxybenzylidene)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoacetohydrazide
CID 6876732
N'-(2-fluorobenzylidene)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoacetohydrazide
CID 6876733
4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 11144555
N-[(3-Methoxyphenyl)methyl]-2-{3-[4-(2-methoxyphenyl)piperazin-1-YL]-6-oxo-1,6-dihydropyridazin-1-YL}acetamide
CID 16024937
4-Amino-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-2-methyl-6-phenylpyridazin-3-one
CID 44307687
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
CID 135420009

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 5344753) is N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc(O)c2)CC1.
What is the InChIKey of N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is VLLCNLYJLFSNQO-KGENOOAVSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-28-18-8-3-2-7-17(18)23-9-11-24(12-10-23)20(27)19(26)22-21-14-15-5-4-6-16(25)13-15/h2-8,13-14,25H,9-12H2,1H3,(H,22,26)/b21-14+.
What are the key properties of N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 382.42 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 5344753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).