2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide

C20H24N2O3 — CID 4980965

IUPAC2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)COc2c(C)cccc2C)c(C)c1C
InChIInChI=1S/C20H24N2O3/c1-13-7-6-8-14(2)20(13)25-12-19(23)22-21-11-17-9-10-18(24-5)16(4)15(17)3/h6-11H,12H2,1-5H3,(H,22,23)
InChIKeyVHQSZRHHGIWGPQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.46
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide

2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide (PubChem CID 4980965) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide
PubChem CID4980965
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)COc2c(C)cccc2C)c(C)c1C
InChIInChI=1S/C20H24N2O3/c1-13-7-6-8-14(2)20(13)25-12-19(23)22-21-11-17-9-10-18(24-5)16(4)15(17)3/h6-11H,12H2,1-5H3,(H,22,23)
InChIKeyVHQSZRHHGIWGPQ-UHFFFAOYSA-N
XLogP3.46
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 6129551
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2,4,6-trimethylphenoxy)acetamide
CID 5407844
2-(2,6-dimethylphenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 54788834
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 5426190
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5414113
N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126023468
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748198
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19182694
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135644038

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide (CID 4980965) is 2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide is COc1ccc(C=NNC(=O)COc2c(C)cccc2C)c(C)c1C.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide?
The InChIKey is VHQSZRHHGIWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-7-6-8-14(2)20(13)25-12-19(23)22-21-11-17-9-10-18(24-5)16(4)15(17)3/h6-11H,12H2,1-5H3,(H,22,23).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide?
2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4980965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).