N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide

C25H22N2O2 — CID 5334294

IUPACN-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1C
InChIInChI=1S/C25H22N2O2/c1-17-11-12-21(13-18(17)2)29-16-25(28)27-26-15-24-22-9-5-3-7-19(22)14-20-8-4-6-10-23(20)24/h3-15H,16H2,1-2H3,(H,27,28)/b26-15+
InChIKeyVMFIQYOTZQNNDX-CVKSISIWSA-N
MW382.46 g/mol
LogP5.14
Rot. Bonds5

About N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide

N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 5334294) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID5334294
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1C
InChIInChI=1S/C25H22N2O2/c1-17-11-12-21(13-18(17)2)29-16-25(28)27-26-15-24-22-9-5-3-7-19(22)14-20-8-4-6-10-23(20)24/h3-15H,16H2,1-2H3,(H,27,28)/b26-15+
InChIKeyVMFIQYOTZQNNDX-CVKSISIWSA-N
XLogP5.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135479490
N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide
CID 3363450
2-(3,4-dimethylphenoxy)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135569427
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide
CID 7334026
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide
CID 9316542
N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135648428
[1-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 3408916
[1-[(E)-[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 51060191
2-(3,4-dimethylphenoxy)-N-[(3-hydroxy-1-oxo-2H-isoquinolin-4-yl)methylideneamino]acetamide
CID 137148690
N-(anthracen-9-ylmethylideneamino)-2-(4-pentylphenoxy)acetamide
CID 609044
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-pentylphenoxy)acetamide
CID 5375690
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190730

Frequently Asked Questions

What is the IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide (CID 5334294) is N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1C.
What is the InChIKey of N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is VMFIQYOTZQNNDX-CVKSISIWSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-17-11-12-21(13-18(17)2)29-16-25(28)27-26-15-24-22-9-5-3-7-19(22)14-20-8-4-6-10-23(20)24/h3-15H,16H2,1-2H3,(H,27,28)/b26-15+.
What are the key properties of N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 382.46 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 5334294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).