2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide

C24H28N4O5 — CID 27018155

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1OC
InChIInChI=1S/C24H28N4O5/c1-4-15-33-21-10-9-18(16-22(21)32-3)17-25-26-23(29)24(30)28-13-11-27(12-14-28)19-7-5-6-8-20(19)31-2/h4-10,16-17H,1,11-15H2,2-3H3,(H,26,29)/b25-17-
InChIKeyMKCSSRSOBIQIOJ-UQQQWYQISA-N
MW452.51 g/mol
LogP2.07
Rot. Bonds8

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide (PubChem CID 27018155) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide
PubChem CID27018155
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1OC
InChIInChI=1S/C24H28N4O5/c1-4-15-33-21-10-9-18(16-22(21)32-3)17-25-26-23(29)24(30)28-13-11-27(12-14-28)19-7-5-6-8-20(19)31-2/h4-10,16-17H,1,11-15H2,2-3H3,(H,26,29)/b25-17-
InChIKeyMKCSSRSOBIQIOJ-UQQQWYQISA-N
XLogP2.07
TPSA92.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 94846489
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 136844914
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 6248065
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4594277
N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 8989358
N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 94847093
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 126126513
2-hydroxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]propanamide
CID 3247960
N-[(Z)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 6029525
N-[(Z)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 98091140
N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931811
N-[(Z)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 98091144

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide (CID 27018155) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide is C=CCOc1ccc(/C=N\NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1OC.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide?
The InChIKey is MKCSSRSOBIQIOJ-UQQQWYQISA-N. The full InChI is InChI=1S/C24H28N4O5/c1-4-15-33-21-10-9-18(16-22(21)32-3)17-25-26-23(29)24(30)28-13-11-27(12-14-28)19-7-5-6-8-20(19)31-2/h4-10,16-17H,1,11-15H2,2-3H3,(H,26,29)/b25-17-.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide has a molecular weight of 452.51 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide is sourced from PubChem (CID 27018155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).