[1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid

C20H18NO4P — CID 68923269

IUPAC[1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid
SMILESO=C(NC=Cc1ccccc1)C(c1cccc2ccccc12)P(=O)(O)O
InChIInChI=1S/C20H18NO4P/c22-20(21-14-13-15-7-2-1-3-8-15)19(26(23,24)25)18-12-6-10-16-9-4-5-11-17(16)18/h1-14,19H,(H,21,22)(H2,23,24,25)
InChIKeyCLQAHGHEUIHTDL-UHFFFAOYSA-N
MW367.34 g/mol
LogP3.85
Rot. Bonds5

About [1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid

[1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid (PubChem CID 68923269) has the molecular formula C20H18NO4P and a molecular weight of 367.34 g/mol. Its IUPAC name is [1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid.

Molecular Properties

Compound Name[1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid
PubChem CID68923269
Molecular FormulaC20H18NO4P
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC Name[1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid
SMILESO=C(NC=Cc1ccccc1)C(c1cccc2ccccc12)P(=O)(O)O
InChIInChI=1S/C20H18NO4P/c22-20(21-14-13-15-7-2-1-3-8-15)19(26(23,24)25)18-12-6-10-16-9-4-5-11-17(16)18/h1-14,19H,(H,21,22)(H2,23,24,25)
InChIKeyCLQAHGHEUIHTDL-UHFFFAOYSA-N
XLogP3.85
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid?
The IUPAC name of [1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid (CID 68923269) is [1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid.
What is the SMILES notation for [1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid?
The canonical SMILES for [1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid is O=C(NC=Cc1ccccc1)C(c1cccc2ccccc12)P(=O)(O)O.
What is the InChIKey of [1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid?
The InChIKey is CLQAHGHEUIHTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NO4P/c22-20(21-14-13-15-7-2-1-3-8-15)19(26(23,24)25)18-12-6-10-16-9-4-5-11-17(16)18/h1-14,19H,(H,21,22)(H2,23,24,25).
What are the key properties of [1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid?
[1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid has a molecular weight of 367.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid is sourced from PubChem (CID 68923269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).