N-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide

C20H22N4O3 — CID 155924615

IUPACN-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
SMILESCc1ccc(/C=N/NC(=O)COCC(=O)N/N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N4O3/c1-15-3-7-17(8-4-15)11-21-23-19(25)13-27-14-20(26)24-22-12-18-9-5-16(2)6-10-18/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)/b21-11+,22-12+
InChIKeyPIUQLVSPMXYECK-XHQRYOPUSA-N
MW366.42 g/mol
LogP1.92
Rot. Bonds8

About N-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide

N-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide (PubChem CID 155924615) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
PubChem CID155924615
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
SMILESCc1ccc(/C=N/NC(=O)COCC(=O)N/N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N4O3/c1-15-3-7-17(8-4-15)11-21-23-19(25)13-27-14-20(26)24-22-12-18-9-5-16(2)6-10-18/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)/b21-11+,22-12+
InChIKeyPIUQLVSPMXYECK-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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The IUPAC name of N-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide (CID 155924615) is N-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The canonical SMILES for N-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is Cc1ccc(/C=N/NC(=O)COCC(=O)N/N=C/c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
The InChIKey is PIUQLVSPMXYECK-XHQRYOPUSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-15-3-7-17(8-4-15)11-21-23-19(25)13-27-14-20(26)24-22-12-18-9-5-16(2)6-10-18/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)/b21-11+,22-12+.
What are the key properties of N-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide?
N-[(E)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-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)-(4-methylphenyl)methylideneamino]-2-[2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide is sourced from PubChem (CID 155924615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).