N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

C22H25N5O5 — CID 6248065

IUPACN-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)CC1
InChIInChI=1S/C22H25N5O5/c1-31-19-5-3-2-4-18(19)26-10-12-27(13-11-26)22(30)21(29)25-24-14-16-6-8-17(9-7-16)32-15-20(23)28/h2-9,14H,10-13,15H2,1H3,(H2,23,28)(H,25,29)/b24-14-
InChIKeyRZGSGHLMDAKZJU-OYKKKHCWSA-N
MW439.47 g/mol
LogP0.36
Rot. Bonds7

About N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 6248065) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID6248065
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC NameN-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)CC1
InChIInChI=1S/C22H25N5O5/c1-31-19-5-3-2-4-18(19)26-10-12-27(13-11-26)22(30)21(29)25-24-14-16-6-8-17(9-7-16)32-15-20(23)28/h2-9,14H,10-13,15H2,1H3,(H2,23,28)(H,25,29)/b24-14-
InChIKeyRZGSGHLMDAKZJU-OYKKKHCWSA-N
XLogP0.36
TPSA126.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 50.36
H-Bond Donors ≤ 52
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': '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
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4594277
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-oxoacetamide
CID 27018155
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 136844914
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9334137
N-[(4-methoxyphenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 3102338
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
CID 6874443
N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 94837449
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
N-[(Z)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 98091144
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 7494425

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 6248065) is N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccccc1N1CCN(C(=O)C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)CC1.
What is the InChIKey of N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is RZGSGHLMDAKZJU-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-31-19-5-3-2-4-18(19)26-10-12-27(13-11-26)22(30)21(29)25-24-14-16-6-8-17(9-7-16)32-15-20(23)28/h2-9,14H,10-13,15H2,1H3,(H2,23,28)(H,25,29)/b24-14-.
What are the key properties of N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 439.47 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 6248065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).