[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate

C17H18N2O2 — CID 6297695

IUPAC[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)O/N=C(/N)c2cccc(C)c2)cc1
InChIInChI=1S/C17H18N2O2/c1-12-6-8-14(9-7-12)11-16(20)21-19-17(18)15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H2,18,19)
InChIKeyLVJIZKWRZCBERB-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.71
Rot. Bonds4

About [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate

[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate (PubChem CID 6297695) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
PubChem CID6297695
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)O/N=C(/N)c2cccc(C)c2)cc1
InChIInChI=1S/C17H18N2O2/c1-12-6-8-14(9-7-12)11-16(20)21-19-17(18)15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H2,18,19)
InChIKeyLVJIZKWRZCBERB-UHFFFAOYSA-N
XLogP2.71
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 2944500
[[amino-(3-methylphenyl)methylidene]amino] 3-phenylpropanoate
CID 2888204
[[amino-(3-bromophenyl)methylidene]amino] 2-(4-phenylphenyl)acetate
CID 3909201
[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(3,5-dimethylphenoxy)acetate
CID 6043794
[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
CID 5348857
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 2944587
[[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-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 17373666
[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
CID 71329912
[[amino-(3-methylphenyl)methylidene]amino] 2-bromobenzoate
CID 2890192
[(E)-[amino-(3-methylphenyl)methylidene]amino] (2S)-2-phenoxypropanoate
CID 28922582

Frequently Asked Questions

What is the IUPAC name of [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate?
The IUPAC name of [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate (CID 6297695) is [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate.
What is the SMILES notation for [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate?
The canonical SMILES for [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate is Cc1ccc(CC(=O)O/N=C(/N)c2cccc(C)c2)cc1.
What is the InChIKey of [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate?
The InChIKey is LVJIZKWRZCBERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-6-8-14(9-7-12)11-16(20)21-19-17(18)15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H2,18,19).
What are the key properties of [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate?
[(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate has a molecular weight of 282.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino-(3-methylphenyl)methylidene]amino] 2-(4-methylphenyl)acetate is sourced from PubChem (CID 6297695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).