[(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate

C18H19NO3 — CID 14222407

IUPAC[(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate
SMILESCC(=O)OC(C)/C(=N/OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(22-15(2)20)18(17-11-7-4-8-12-17)19-21-13-16-9-5-3-6-10-16/h3-12,14H,13H2,1-2H3/b19-18-
InChIKeyGXHFFXRXRNSYIG-HNENSFHCSA-N
MW297.35 g/mol
LogP3.56
Rot. Bonds6

About [(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate

[(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate (PubChem CID 14222407) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate.

Molecular Properties

Compound Name[(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate
PubChem CID14222407
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate
SMILESCC(=O)OC(C)/C(=N/OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(22-15(2)20)18(17-11-7-4-8-12-17)19-21-13-16-9-5-3-6-10-16/h3-12,14H,13H2,1-2H3/b19-18-
InChIKeyGXHFFXRXRNSYIG-HNENSFHCSA-N
XLogP3.56
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate?
The IUPAC name of [(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate (CID 14222407) is [(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate.
What is the SMILES notation for [(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate?
The canonical SMILES for [(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate is CC(=O)OC(C)/C(=N/OCc1ccccc1)c1ccccc1.
What is the InChIKey of [(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate?
The InChIKey is GXHFFXRXRNSYIG-HNENSFHCSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(22-15(2)20)18(17-11-7-4-8-12-17)19-21-13-16-9-5-3-6-10-16/h3-12,14H,13H2,1-2H3/b19-18-.
What are the key properties of [(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate?
[(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate has a molecular weight of 297.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-phenyl-1-phenylmethoxyiminopropan-2-yl] acetate is sourced from PubChem (CID 14222407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).