N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide

C20H22N4O3 — CID 155923892

IUPACN-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
SMILESCc1cccc(/C=N/NC(=O)COCC(=O)N/N=C/c2cccc(C)c2)c1
InChIInChI=1S/C20H22N4O3/c1-15-5-3-7-17(9-15)11-21-23-19(25)13-27-14-20(26)24-22-12-18-8-4-6-16(2)10-18/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)/b21-11+,22-12+
InChIKeyOCUVILPTXZVLOR-XHQRYOPUSA-N
MW366.42 g/mol
LogP1.92
Rot. Bonds8

About N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide

N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide (PubChem CID 155923892) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
PubChem CID155923892
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
SMILESCc1cccc(/C=N/NC(=O)COCC(=O)N/N=C/c2cccc(C)c2)c1
InChIInChI=1S/C20H22N4O3/c1-15-5-3-7-17(9-15)11-21-23-19(25)13-27-14-20(26)24-22-12-18-8-4-6-16(2)10-18/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)/b21-11+,22-12+
InChIKeyOCUVILPTXZVLOR-XHQRYOPUSA-N
XLogP1.92
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(2-benzhydrylidenehydrazinyl)-2-oxoacetate
CID 1880385
2,2'-oxybis[N'-(2-fluorobenzylidene)acetohydrazide]
CID 5340045
2,2'-oxybis[N'-(4-fluorobenzylidene)acetohydrazide]
CID 5339990
Diglycolic bis((3-phenylpropylidene)hydrazide)
CID 9655848
N-[(E)-(3-fluorophenyl)methyleneamino]-2-[2-[(2E)-2-[(3-fluorophenyl)methylene]hydrazino]-2-oxo-ethoxy]acetamide
CID 155923914
N'-[(E)-(4-Fluorophenyl)methylidene]-2-methoxyacetohydrazide
CID 9580161
2,2'-oxybis[N'-(4-bromobenzylidene)acetohydrazide]
CID 5334121
N-[(E)-o-tolylmethyleneamino]-2-[2-[(2E)-2-(o-tolylmethylene)hydrazino]-2-oxo-ethoxy]acetamide
CID 155923881
2-[2-oxo-2-[(2E)-2-(p-tolylmethylene)hydrazino]ethoxy]-N-[(E)-p-tolylmethyleneamino]acetamide
CID 155924615
N-[(E)-(2-bromophenyl)methyleneamino]-2-[2-[(2E)-2-[(2-bromophenyl)methylene]hydrazino]-2-oxo-ethoxy]acetamide
CID 155924616
N-[(E)-(3-bromophenyl)methyleneamino]-2-[2-[(2E)-2-[(3-bromophenyl)methylene]hydrazino]-2-oxo-ethoxy]acetamide
CID 155925365
N-[(4-fluorophenyl)methylideneamino]-2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 2246871

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide (CID 155923892) is N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The canonical SMILES for N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is Cc1cccc(/C=N/NC(=O)COCC(=O)N/N=C/c2cccc(C)c2)c1.
What is the InChIKey of N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The InChIKey is OCUVILPTXZVLOR-XHQRYOPUSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-15-5-3-7-17(9-15)11-21-23-19(25)13-27-14-20(26)24-22-12-18-8-4-6-16(2)10-18/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)/b21-11+,22-12+.
What are the key properties of N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide has a molecular weight of 366.42 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is sourced from PubChem (CID 155923892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).