[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate

C18H20N2O3 — CID 6043794

IUPAC[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)O/N=C(/N)c2cccc(C)c2)c1
InChIInChI=1S/C18H20N2O3/c1-12-5-4-6-15(8-12)18(19)20-23-17(21)11-22-16-9-13(2)7-14(3)10-16/h4-10H,11H2,1-3H3,(H2,19,20)
InChIKeyIDCIHSNROWXFHW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.85
Rot. Bonds5

About [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate

[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate (PubChem CID 6043794) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate
PubChem CID6043794
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)O/N=C(/N)c2cccc(C)c2)c1
InChIInChI=1S/C18H20N2O3/c1-12-5-4-6-15(8-12)18(19)20-23-17(21)11-22-16-9-13(2)7-14(3)10-16/h4-10H,11H2,1-3H3,(H2,19,20)
InChIKeyIDCIHSNROWXFHW-UHFFFAOYSA-N
XLogP2.85
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino-(4-chlorophenyl)methylidene]amino] 2-(3-methylphenoxy)acetate
CID 2885323
[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 6297695
[(E)-[amino-(3-nitrophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 6034101
[[amino(phenyl)methylidene]amino] 2-(3,4-dimethylphenoxy)acetate
CID 2957050
[[amino-(3-methylphenyl)methylidene]amino] 3-phenylpropanoate
CID 2888204
[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
CID 5348857
(3,5-dimethylphenyl) 2-(3-methylphenoxy)acetate
CID 19167596
[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
[[amino-(3-methylphenyl)methylidene]amino] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 2960881
[[amino-(3-methylphenyl)methylidene]amino] 2,6-dimethoxybenzoate
CID 2961106
[(E)-[amino-(3-methylphenyl)methylidene]amino] (2S)-2-phenoxypropanoate
CID 28922582
[[amino(pyridin-3-yl)methylidene]amino] 2-(3,4-dimethylphenoxy)acetate
CID 2914533

Frequently Asked Questions

What is the IUPAC name of [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate?
The IUPAC name of [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate (CID 6043794) is [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate.
What is the SMILES notation for [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate?
The canonical SMILES for [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate is Cc1cc(C)cc(OCC(=O)O/N=C(/N)c2cccc(C)c2)c1.
What is the InChIKey of [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate?
The InChIKey is IDCIHSNROWXFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-5-4-6-15(8-12)18(19)20-23-17(21)11-22-16-9-13(2)7-14(3)10-16/h4-10H,11H2,1-3H3,(H2,19,20).
What are the key properties of [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate?
[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate has a molecular weight of 312.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate is sourced from PubChem (CID 6043794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).