ethyl 2-benzhydryliminoacetate

C17H17NO2 — CID 11402900

IUPACethyl 2-benzhydryliminoacetate
SMILESCCOC(=O)/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17H,2H2,1H3/b18-13+
InChIKeyMXRQIPWOXOFHBU-QGOAFFKASA-N
MW267.33 g/mol
LogP3.41
Rot. Bonds5

About ethyl 2-benzhydryliminoacetate

ethyl 2-benzhydryliminoacetate (PubChem CID 11402900) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 2-benzhydryliminoacetate.

Molecular Properties

Compound Nameethyl 2-benzhydryliminoacetate
PubChem CID11402900
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Nameethyl 2-benzhydryliminoacetate
SMILESCCOC(=O)/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17H,2H2,1H3/b18-13+
InChIKeyMXRQIPWOXOFHBU-QGOAFFKASA-N
XLogP3.41
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzhydryliminoacetate?
The IUPAC name of ethyl 2-benzhydryliminoacetate (CID 11402900) is ethyl 2-benzhydryliminoacetate.
What is the SMILES notation for ethyl 2-benzhydryliminoacetate?
The canonical SMILES for ethyl 2-benzhydryliminoacetate is CCOC(=O)/C=N/C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-benzhydryliminoacetate?
The InChIKey is MXRQIPWOXOFHBU-QGOAFFKASA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17H,2H2,1H3/b18-13+.
What are the key properties of ethyl 2-benzhydryliminoacetate?
ethyl 2-benzhydryliminoacetate has a molecular weight of 267.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzhydryliminoacetate is sourced from PubChem (CID 11402900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).