2-phenylethyl 2-(benzhydrylideneamino)acetate

C23H21NO2 — CID 46702006

IUPAC2-phenylethyl 2-(benzhydrylideneamino)acetate
SMILESO=C(CN=C(c1ccccc1)c1ccccc1)OCCc1ccccc1
InChIInChI=1S/C23H21NO2/c25-22(26-17-16-19-10-4-1-5-11-19)18-24-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyZBXSEGVUEHXCAJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.31
Rot. Bonds7

About 2-phenylethyl 2-(benzhydrylideneamino)acetate

2-phenylethyl 2-(benzhydrylideneamino)acetate (PubChem CID 46702006) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-phenylethyl 2-(benzhydrylideneamino)acetate.

Molecular Properties

Compound Name2-phenylethyl 2-(benzhydrylideneamino)acetate
PubChem CID46702006
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name2-phenylethyl 2-(benzhydrylideneamino)acetate
SMILESO=C(CN=C(c1ccccc1)c1ccccc1)OCCc1ccccc1
InChIInChI=1S/C23H21NO2/c25-22(26-17-16-19-10-4-1-5-11-19)18-24-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyZBXSEGVUEHXCAJ-UHFFFAOYSA-N
XLogP4.31
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate
CID 118304725
[2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate
CID 10984738
4-O-(2-chloroethyl) 1-O-(2-phenylethyl) butanedioate
CID 91703286
2-phenylethyl 3-[3-[3-oxo-3-(2-phenylethoxy)propyl]phenyl]propanoate
CID 162059275
2-phenylethyl acetate
CID 7654
2-(4-hydroxyphenyl)ethyl 2-phenylacetate
CID 24850763
(benzhydrylideneamino) 3-phenylpropanoate
CID 91344070
methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate
CID 141348967
2-phenylethyl 2-(2-formylphenyl)acetate
CID 169081961
acetic acid;2-phenylethyl acetate
CID 174791962
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
2-bromo-3-oxo-3-(2-phenylethoxy)propanoic acid
CID 88766857

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-(benzhydrylideneamino)acetate?
The IUPAC name of 2-phenylethyl 2-(benzhydrylideneamino)acetate (CID 46702006) is 2-phenylethyl 2-(benzhydrylideneamino)acetate.
What is the SMILES notation for 2-phenylethyl 2-(benzhydrylideneamino)acetate?
The canonical SMILES for 2-phenylethyl 2-(benzhydrylideneamino)acetate is O=C(CN=C(c1ccccc1)c1ccccc1)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 2-(benzhydrylideneamino)acetate?
The InChIKey is ZBXSEGVUEHXCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c25-22(26-17-16-19-10-4-1-5-11-19)18-24-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2.
What are the key properties of 2-phenylethyl 2-(benzhydrylideneamino)acetate?
2-phenylethyl 2-(benzhydrylideneamino)acetate has a molecular weight of 343.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-(benzhydrylideneamino)acetate is sourced from PubChem (CID 46702006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).