[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate

C15H18N2O4 — CID 87328863

IUPAC[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate
SMILESCC(=O)O/N=C(/CC/C(C)=N/OC(C)=O)c1ccccc1
InChIInChI=1S/C15H18N2O4/c1-11(16-20-12(2)18)9-10-15(17-21-13(3)19)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3/b16-11+,17-15-
InChIKeyOQPYOWGAZBXCQL-DDNNWOMUSA-N
MW290.32 g/mol
LogP2.67
Rot. Bonds6

About [(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate

[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate (PubChem CID 87328863) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is [(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate
PubChem CID87328863
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate
SMILESCC(=O)O/N=C(/CC/C(C)=N/OC(C)=O)c1ccccc1
InChIInChI=1S/C15H18N2O4/c1-11(16-20-12(2)18)9-10-15(17-21-13(3)19)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3/b16-11+,17-15-
InChIKeyOQPYOWGAZBXCQL-DDNNWOMUSA-N
XLogP2.67
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[(5-oxo-5-phenylpentan-2-ylidene)amino] acetate
CID 173378675
[(2-bromo-1-phenylethylidene)amino] acetate
CID 86233217
[(Z)-1-phenylhex-4-ynylideneamino] acetate
CID 177440442
[(E)-1-phenylethylideneamino] acetate
CID 5392489
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
[1-(4-methylsulfanylphenyl)butylideneamino] acetate
CID 87133391
1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one
CID 88532056
[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino] acetate
CID 166064621
[(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate
CID 87328065
(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid
CID 46229742
[(E)-1-phenylbutylideneamino] 2-methoxy-2-methylpropanoate
CID 88591576
[(Z)-1,2,2-triphenylethylideneamino] acetate
CID 53467016

Frequently Asked Questions

What is the IUPAC name of [(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate?
The IUPAC name of [(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate (CID 87328863) is [(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate.
What is the SMILES notation for [(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate?
The canonical SMILES for [(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate is CC(=O)O/N=C(/CC/C(C)=N/OC(C)=O)c1ccccc1.
What is the InChIKey of [(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate?
The InChIKey is OQPYOWGAZBXCQL-DDNNWOMUSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-11(16-20-12(2)18)9-10-15(17-21-13(3)19)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3/b16-11+,17-15-.
What are the key properties of [(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate?
[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate has a molecular weight of 290.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate is sourced from PubChem (CID 87328863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).