2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide

C18H20N2O2 — CID 71950738

IUPAC2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(C=NNC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H20N2O2/c1-13-4-7-16(8-5-13)11-19-20-18(21)12-22-17-9-6-14(2)15(3)10-17/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeySDWMLKWTWRVVHH-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.14
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide

2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide (PubChem CID 71950738) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
PubChem CID71950738
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(C=NNC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H20N2O2/c1-13-4-7-16(8-5-13)11-19-20-18(21)12-22-17-9-6-14(2)15(3)10-17/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeySDWMLKWTWRVVHH-UHFFFAOYSA-N
XLogP3.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.14
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'}

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Related Compounds

2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316133
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 89119467
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 4266785
2-(3,4-dimethylphenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9316162
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-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316103

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide (CID 71950738) is 2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide is Cc1ccc(C=NNC(=O)COc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide?
The InChIKey is SDWMLKWTWRVVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-4-7-16(8-5-13)11-19-20-18(21)12-22-17-9-6-14(2)15(3)10-17/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide?
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide has a molecular weight of 296.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 71950738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).