ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate

C17H16NO2- — CID 102188968

IUPACethyl 2-[[phenyl(phenyl)methylidene]amino]acetate
SMILESCCOC(=O)C/N=C(\c1[c-]cccc1)c1ccccc1
InChIInChI=1S/C17H16NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-11H,2,13H2,1H3/q-1/b18-17-
InChIKeyWYDQCQJLLOFALA-ZCXUNETKSA-N
MW266.32 g/mol
LogP2.89
Rot. Bonds5

About ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate

ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate (PubChem CID 102188968) has the molecular formula C17H16NO2- and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[phenyl(phenyl)methylidene]amino]acetate
PubChem CID102188968
Molecular FormulaC17H16NO2-
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Nameethyl 2-[[phenyl(phenyl)methylidene]amino]acetate
SMILESCCOC(=O)C/N=C(\c1[c-]cccc1)c1ccccc1
InChIInChI=1S/C17H16NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-11H,2,13H2,1H3/q-1/b18-17-
InChIKeyWYDQCQJLLOFALA-ZCXUNETKSA-N
XLogP2.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[methylsulfanyl(phenyl)methylidene]amino]acetate
CID 11806671
[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate
CID 118304725
[2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate
CID 10984738
CID 59967644
CID 59967644
2-phenylethyl 2-(benzhydrylideneamino)acetate
CID 46702006
diphenylmethanone;ethyl 2-diazenylacetate
CID 174411163
CID 6332799
CID 6332799
ethyl 5-oxo-3,4,5-triphenylpentanoate
CID 13074227
(2-ethoxy-2-oxoethyl)-diphenylsulfanium
CID 15442561
ethyl 2-[[(E)-2-benzoyl-3-hydroxy-3-phenylprop-2-enylidene]amino]acetate
CID 135441648
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate?
The IUPAC name of ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate (CID 102188968) is ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate.
What is the SMILES notation for ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate?
The canonical SMILES for ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate is CCOC(=O)C/N=C(\c1[c-]cccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate?
The InChIKey is WYDQCQJLLOFALA-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-11H,2,13H2,1H3/q-1/b18-17-.
What are the key properties of ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate?
ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate has a molecular weight of 266.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[phenyl(phenyl)methylidene]amino]acetate is sourced from PubChem (CID 102188968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).