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

C21H24N4O4 — CID 6876732

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1/C=N/NC(=O)C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H24N4O4/c1-28-18-9-5-3-7-16(18)15-22-23-20(26)21(27)25-13-11-24(12-14-25)17-8-4-6-10-19(17)29-2/h3-10,15H,11-14H2,1-2H3,(H,23,26)/b22-15+
InChIKeyVPXHSHWSSBGWKS-PXLXIMEGSA-N
MW396.45 g/mol
LogP1.50
Rot. Bonds5

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

N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 6876732) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID6876732
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1/C=N/NC(=O)C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H24N4O4/c1-28-18-9-5-3-7-16(18)15-22-23-20(26)21(27)25-13-11-24(12-14-25)17-8-4-6-10-19(17)29-2/h3-10,15H,11-14H2,1-2H3,(H,23,26)/b22-15+
InChIKeyVPXHSHWSSBGWKS-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 6876732) is N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccccc1/C=N/NC(=O)C(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is VPXHSHWSSBGWKS-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-28-18-9-5-3-7-16(18)15-22-23-20(26)21(27)25-13-11-24(12-14-25)17-8-4-6-10-19(17)29-2/h3-10,15H,11-14H2,1-2H3,(H,23,26)/b22-15+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-[(E)-(2-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)-(2-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 6876732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).