ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate

C19H19NO4 — CID 11023815

IUPACethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate
SMILESCCOC(=O)C(N=C(c1ccccc1)c1ccccc1)OC(C)=O
InChIInChI=1S/C19H19NO4/c1-3-23-19(22)18(24-14(2)21)20-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18H,3H2,1-2H3
InChIKeyFOCYLNDNLMPUTK-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.98
Rot. Bonds6

About ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate

ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate (PubChem CID 11023815) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate
PubChem CID11023815
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate
SMILESCCOC(=O)C(N=C(c1ccccc1)c1ccccc1)OC(C)=O
InChIInChI=1S/C19H19NO4/c1-3-23-19(22)18(24-14(2)21)20-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18H,3H2,1-2H3
InChIKeyFOCYLNDNLMPUTK-UHFFFAOYSA-N
XLogP2.98
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate?
The IUPAC name of ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate (CID 11023815) is ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate.
What is the SMILES notation for ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate?
The canonical SMILES for ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate is CCOC(=O)C(N=C(c1ccccc1)c1ccccc1)OC(C)=O.
What is the InChIKey of ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate?
The InChIKey is FOCYLNDNLMPUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-23-19(22)18(24-14(2)21)20-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18H,3H2,1-2H3.
What are the key properties of ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate?
ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate has a molecular weight of 325.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-2-(benzhydrylideneamino)acetate is sourced from PubChem (CID 11023815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).