[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate

C20H17NO2 — CID 88860851

IUPAC[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate
SMILESC/C(=N\OC(=O)Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO2/c1-15(18-12-11-17-9-5-6-10-19(17)14-18)21-23-20(22)13-16-7-3-2-4-8-16/h2-12,14H,13H2,1H3/b21-15+
InChIKeyUXZPOWGFDLGINP-RCCKNPSSSA-N
MW303.36 g/mol
LogP4.35
Rot. Bonds4

About [(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate

[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate (PubChem CID 88860851) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is [(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate.

Molecular Properties

Compound Name[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate
PubChem CID88860851
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate
SMILESC/C(=N\OC(=O)Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO2/c1-15(18-12-11-17-9-5-6-10-19(17)14-18)21-23-20(22)13-16-7-3-2-4-8-16/h2-12,14H,13H2,1H3/b21-15+
InChIKeyUXZPOWGFDLGINP-RCCKNPSSSA-N
XLogP4.35
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate?
The IUPAC name of [(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate (CID 88860851) is [(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate.
What is the SMILES notation for [(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate?
The canonical SMILES for [(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate is C/C(=N\OC(=O)Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of [(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate?
The InChIKey is UXZPOWGFDLGINP-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H17NO2/c1-15(18-12-11-17-9-5-6-10-19(17)14-18)21-23-20(22)13-16-7-3-2-4-8-16/h2-12,14H,13H2,1H3/b21-15+.
What are the key properties of [(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate?
[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate has a molecular weight of 303.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate is sourced from PubChem (CID 88860851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).