[2-[2-(benzylideneamino)acetyl]phenyl] acetate

C17H15NO3 — CID 101443233

IUPAC[2-[2-(benzylideneamino)acetyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)C/N=C/c1ccccc1
InChIInChI=1S/C17H15NO3/c1-13(19)21-17-10-6-5-9-15(17)16(20)12-18-11-14-7-3-2-4-8-14/h2-11H,12H2,1H3/b18-11+
InChIKeyIDWDVPKQYUXQAN-WOJGMQOQSA-N
MW281.31 g/mol
LogP2.91
Rot. Bonds5

About [2-[2-(benzylideneamino)acetyl]phenyl] acetate

[2-[2-(benzylideneamino)acetyl]phenyl] acetate (PubChem CID 101443233) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-[2-(benzylideneamino)acetyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[2-(benzylideneamino)acetyl]phenyl] acetate
PubChem CID101443233
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[2-[2-(benzylideneamino)acetyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)C/N=C/c1ccccc1
InChIInChI=1S/C17H15NO3/c1-13(19)21-17-10-6-5-9-15(17)16(20)12-18-11-14-7-3-2-4-8-14/h2-11H,12H2,1H3/b18-11+
InChIKeyIDWDVPKQYUXQAN-WOJGMQOQSA-N
XLogP2.91
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-hydroxyacetyl)phenyl] acetate
CID 101117820
[2-(2-aminoacetyl)phenyl] acetate
CID 129189924
prop-1-en-2-yl 2-(benzylideneamino)acetate
CID 89150054
methyl 2-(benzylideneamino)acetate
CID 132550307
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-acetyloxybenzoic acid;ethene
CID 67877309
2-acetyloxybenzoic acid;azane;ethanol;hydrate
CID 174981083
2-acetyloxybenzoic acid;(E)-but-2-enedioic acid
CID 135328306
sodium;2-acetyloxybenzoate;carbonic acid
CID 66790092
phosphanyl 2-(benzylideneamino)acetate
CID 88978605
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
[2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate
CID 54432476

Frequently Asked Questions

What is the IUPAC name of [2-[2-(benzylideneamino)acetyl]phenyl] acetate?
The IUPAC name of [2-[2-(benzylideneamino)acetyl]phenyl] acetate (CID 101443233) is [2-[2-(benzylideneamino)acetyl]phenyl] acetate.
What is the SMILES notation for [2-[2-(benzylideneamino)acetyl]phenyl] acetate?
The canonical SMILES for [2-[2-(benzylideneamino)acetyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)C/N=C/c1ccccc1.
What is the InChIKey of [2-[2-(benzylideneamino)acetyl]phenyl] acetate?
The InChIKey is IDWDVPKQYUXQAN-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H15NO3/c1-13(19)21-17-10-6-5-9-15(17)16(20)12-18-11-14-7-3-2-4-8-14/h2-11H,12H2,1H3/b18-11+.
What are the key properties of [2-[2-(benzylideneamino)acetyl]phenyl] acetate?
[2-[2-(benzylideneamino)acetyl]phenyl] acetate has a molecular weight of 281.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(benzylideneamino)acetyl]phenyl] acetate is sourced from PubChem (CID 101443233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).