N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide

C28H30N4O4 — CID 89119467

IUPACN-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
SMILESCc1ccc(/C=N/NC(=O)COc2ccc(OCC(=O)N/N=C/c3ccc(C)c(C)c3)cc2)cc1C
InChIInChI=1S/C28H30N4O4/c1-19-5-7-23(13-21(19)3)15-29-31-27(33)17-35-25-9-11-26(12-10-25)36-18-28(34)32-30-16-24-8-6-20(2)22(4)14-24/h5-16H,17-18H2,1-4H3,(H,31,33)(H,32,34)/b29-15+,30-16+
InChIKeyUVTWEURZPHOOSA-CMNXJCJSSA-N
MW486.57 g/mol
LogP3.98
Rot. Bonds10

About N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide

N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide (PubChem CID 89119467) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
PubChem CID89119467
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
SMILESCc1ccc(/C=N/NC(=O)COc2ccc(OCC(=O)N/N=C/c3ccc(C)c(C)c3)cc2)cc1C
InChIInChI=1S/C28H30N4O4/c1-19-5-7-23(13-21(19)3)15-29-31-27(33)17-35-25-9-11-26(12-10-25)36-18-28(34)32-30-16-24-8-6-20(2)22(4)14-24/h5-16H,17-18H2,1-4H3,(H,31,33)(H,32,34)/b29-15+,30-16+
InChIKeyUVTWEURZPHOOSA-CMNXJCJSSA-N
XLogP3.98
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(4-hydroxy-3-methylphenyl)methylideneamino]-2-[4-[2-[2-[(4-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 136506605
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316133
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 4266785
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316103
2-(3,4-dimethylphenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9316162
2-(3,4-dimethylphenoxy)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 689586
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4041679
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 135719900

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide?
The IUPAC name of N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide (CID 89119467) is N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide.
What is the SMILES notation for N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide?
The canonical SMILES for N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide is Cc1ccc(/C=N/NC(=O)COc2ccc(OCC(=O)N/N=C/c3ccc(C)c(C)c3)cc2)cc1C.
What is the InChIKey of N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide?
The InChIKey is UVTWEURZPHOOSA-CMNXJCJSSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-19-5-7-23(13-21(19)3)15-29-31-27(33)17-35-25-9-11-26(12-10-25)36-18-28(34)32-30-16-24-8-6-20(2)22(4)14-24/h5-16H,17-18H2,1-4H3,(H,31,33)(H,32,34)/b29-15+,30-16+.
What are the key properties of N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide?
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide has a molecular weight of 486.57 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide is sourced from PubChem (CID 89119467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).