3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid

C24H26NO5P — CID 11396514

IUPAC3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid
SMILESCOCCCOP(=O)(O)C(C(=O)N/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C24H26NO5P/c1-29-17-8-18-30-31(27,28)23(22-14-7-12-20-11-5-6-13-21(20)22)24(26)25-16-15-19-9-3-2-4-10-19/h2-7,9-16,23H,8,17-18H2,1H3,(H,25,26)(H,27,28)/b16-15+
InChIKeyMTRWGJIUFDIDEZ-FOCLMDBBSA-N
MW439.45 g/mol
LogP4.91
Rot. Bonds10

About 3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid

3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid (PubChem CID 11396514) has the molecular formula C24H26NO5P and a molecular weight of 439.45 g/mol. Its IUPAC name is 3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid.

Molecular Properties

Compound Name3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid
PubChem CID11396514
Molecular FormulaC24H26NO5P
Molecular Weight439.45 g/mol
Exact Mass439.15
IUPAC Name3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid
SMILESCOCCCOP(=O)(O)C(C(=O)N/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C24H26NO5P/c1-29-17-8-18-30-31(27,28)23(22-14-7-12-20-11-5-6-13-21(20)22)24(26)25-16-15-19-9-3-2-4-10-19/h2-7,9-16,23H,8,17-18H2,1H3,(H,25,26)(H,27,28)/b16-15+
InChIKeyMTRWGJIUFDIDEZ-FOCLMDBBSA-N
XLogP4.91
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid?
The IUPAC name of 3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid (CID 11396514) is 3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid.
What is the SMILES notation for 3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid?
The canonical SMILES for 3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid is COCCCOP(=O)(O)C(C(=O)N/C=C/c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid?
The InChIKey is MTRWGJIUFDIDEZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H26NO5P/c1-29-17-8-18-30-31(27,28)23(22-14-7-12-20-11-5-6-13-21(20)22)24(26)25-16-15-19-9-3-2-4-10-19/h2-7,9-16,23H,8,17-18H2,1H3,(H,25,26)(H,27,28)/b16-15+.
What are the key properties of 3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid?
3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid has a molecular weight of 439.45 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid is sourced from PubChem (CID 11396514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).