[(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate

C17H17NO3 — CID 5398505

IUPAC[(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate
SMILESC/C(=N/OC(=O)COc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H17NO3/c1-13-8-10-15(11-9-13)14(2)18-21-17(19)12-20-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3/b18-14-
InChIKeyGOJSZXMJSZWLIB-JXAWBTAJSA-N
MW283.33 g/mol
LogP3.34
Rot. Bonds5

About [(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate

[(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate (PubChem CID 5398505) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate.

Molecular Properties

Compound Name[(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate
PubChem CID5398505
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate
SMILESC/C(=N/OC(=O)COc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H17NO3/c1-13-8-10-15(11-9-13)14(2)18-21-17(19)12-20-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3/b18-14-
InChIKeyGOJSZXMJSZWLIB-JXAWBTAJSA-N
XLogP3.34
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate
CID 6149846
[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 6243258
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 2462291
[[amino-(4-methylphenyl)methylidene]amino] 4-phenoxybutanoate
CID 2238445
(4-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
[(E)-1-phenylethylideneamino] acetate
CID 5392489
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
[[amino-(4-chlorophenyl)methylidene]amino] 2-(3-methylphenoxy)acetate
CID 2885323
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
[[amino(phenyl)methylidene]amino] 2-(3,4-dimethylphenoxy)acetate
CID 2957050
4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate?
The IUPAC name of [(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate (CID 5398505) is [(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate.
What is the SMILES notation for [(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate?
The canonical SMILES for [(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate is C/C(=N/OC(=O)COc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of [(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate?
The InChIKey is GOJSZXMJSZWLIB-JXAWBTAJSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13-8-10-15(11-9-13)14(2)18-21-17(19)12-20-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3/b18-14-.
What are the key properties of [(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate?
[(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate has a molecular weight of 283.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-methylphenyl)ethylideneamino] 2-phenoxyacetate is sourced from PubChem (CID 5398505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).