[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid

C20H18NO4P — CID 11233947

IUPAC[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid
SMILESO=C(N/C=C/c1ccccc1)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)/b14-13+
InChIKeyCLQAHGHEUIHTDL-BUHFOSPRSA-N
MW367.34 g/mol
LogP3.85
Rot. Bonds5

About [1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid

[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid (PubChem CID 11233947) 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-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid.

Molecular Properties

Compound Name[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid
PubChem CID11233947
Molecular FormulaC20H18NO4P
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC Name[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid
SMILESO=C(N/C=C/c1ccccc1)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)/b14-13+
InChIKeyCLQAHGHEUIHTDL-BUHFOSPRSA-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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Related Compounds

2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide
CID 90883777
[2-(isoquinolin-3-ylamino)-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 25264648
[1-(5-chloro-1-benzothiophen-3-yl)-2-[2-(3-chlorophenyl)ethenylamino]-2-oxoethyl]phosphonic acid
CID 66871901
[1-naphthalen-1-yl-2-oxo-2-(quinolin-3-ylamino)ethyl]phosphonic acid
CID 66872024
[2-[[3-(benzylcarbamoyl)naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 66678345
[2-[(3-methoxycarbonylnaphthalen-2-yl)amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 66677543
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide
CID 15828773
[1-(5-chloro-1-benzothiophen-3-yl)-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]-methylphosphinic acid
CID 11223476
2-phenylethenylcarbamic acid
CID 151881054
(2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride
CID 174418018
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene
CID 102229934

Frequently Asked Questions

What is the IUPAC name of [1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid?
The IUPAC name of [1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid (CID 11233947) is [1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid.
What is the SMILES notation for [1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid?
The canonical SMILES for [1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid is O=C(N/C=C/c1ccccc1)C(c1cccc2ccccc12)P(=O)(O)O.
What is the InChIKey of [1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid?
The InChIKey is CLQAHGHEUIHTDL-BUHFOSPRSA-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)/b14-13+.
What are the key properties of [1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid?
[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]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-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid is sourced from PubChem (CID 11233947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).