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

C15H18N2O4 — CID 87328065

IUPAC[(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate
SMILESCC(=O)ON=C(C)CC(Cc1ccccc1)=NOC(C)=O
InChIInChI=1S/C15H18N2O4/c1-11(16-20-12(2)18)9-15(17-21-13(3)19)10-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3
InChIKeyUQGQVQUTUSHIRB-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.48
Rot. Bonds6

About [(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate

[(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate (PubChem CID 87328065) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is [(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate.

Molecular Properties

Compound Name[(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate
PubChem CID87328065
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name[(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate
SMILESCC(=O)ON=C(C)CC(Cc1ccccc1)=NOC(C)=O
InChIInChI=1S/C15H18N2O4/c1-11(16-20-12(2)18)9-15(17-21-13(3)19)10-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3
InChIKeyUQGQVQUTUSHIRB-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

1-phenyl-2-N,4-N-bis(trimethylsilyloxy)pentane-2,4-diimine
CID 87328481
1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine
CID 87327816
[(Z)-(6-methyl-1-phenylhept-6-en-3-ylidene)amino] acetate
CID 102207798
[(5-oxo-5-phenylpentan-2-ylidene)amino] acetate
CID 173378675
[(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate
CID 101154943
[(Z)-1-phenylhept-6-en-3-ylideneamino] acetate
CID 101154947
[(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate
CID 11184901
[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate
CID 87328863
[(Z)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanylbutan-2-ylidene]amino] acetate
CID 129159667
[(E)-1-phenylethylideneamino] acetate
CID 5392489
benzene;1-phenylpropan-2-one
CID 21430852
2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid
CID 12642600

Frequently Asked Questions

What is the IUPAC name of [(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate?
The IUPAC name of [(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate (CID 87328065) is [(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate.
What is the SMILES notation for [(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate?
The canonical SMILES for [(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate is CC(=O)ON=C(C)CC(Cc1ccccc1)=NOC(C)=O.
What is the InChIKey of [(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate?
The InChIKey is UQGQVQUTUSHIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-11(16-20-12(2)18)9-15(17-21-13(3)19)10-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3.
What are the key properties of [(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate?
[(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate has a molecular weight of 290.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate is sourced from PubChem (CID 87328065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).