[1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium

C23H23NO3P+ — CID 135064624

IUPAC[1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium
SMILESO=C(NCc1ccccc1)C(CCc1ccccc1)O[P+](=O)c1ccccc1
InChIInChI=1S/C23H22NO3P/c25-23(24-18-20-12-6-2-7-13-20)22(17-16-19-10-4-1-5-11-19)27-28(26)21-14-8-3-9-15-21/h1-15,22H,16-18H2/p+1
InChIKeyFCEDYKSEJHMSPM-UHFFFAOYSA-O
MW392.42 g/mol
LogP4.39
Rot. Bonds9

About [1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium

[1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium (PubChem CID 135064624) has the molecular formula C23H23NO3P+ and a molecular weight of 392.42 g/mol. Its IUPAC name is [1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium.

Molecular Properties

Compound Name[1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium
PubChem CID135064624
Molecular FormulaC23H23NO3P+
Molecular Weight392.42 g/mol
Exact Mass392.14
IUPAC Name[1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium
SMILESO=C(NCc1ccccc1)C(CCc1ccccc1)O[P+](=O)c1ccccc1
InChIInChI=1S/C23H22NO3P/c25-23(24-18-20-12-6-2-7-13-20)22(17-16-19-10-4-1-5-11-19)27-28(26)21-14-8-3-9-15-21/h1-15,22H,16-18H2/p+1
InChIKeyFCEDYKSEJHMSPM-UHFFFAOYSA-O
XLogP4.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Amide, 17c
CID 44263413
disodium;[(1R,2R)-1-(octanoylamino)-1-phenylpropan-2-yl] phosphate
CID 18339728
disodium;[(1S,2R)-1-(octanoylamino)-1-phenylpropan-2-yl] phosphate
CID 18339734
disodium;[(1R,2S)-1-(octanoylamino)-1-phenylpropan-2-yl] phosphate
CID 18339746
disodium;[(1S,2R)-2-(octanoylamino)-1,2-diphenylethyl] phosphate
CID 18339768
disodium;[(1S,2S)-1-(octanoylamino)-1-phenylpropan-2-yl] phosphate
CID 18339771
disodium;[(2R)-2-phenyl-2-(5-phenylpentanoylamino)ethyl] phosphate
CID 18339790
2-(Benzylamino)ethyl 2-(undecanoylamino)octyl hydrogen phosphate
CID 44270027
(2S)-N-benzyl-2-hydroxy-3-phenylpropanamide
CID 71745606
[(2R)-2-(octanoylamino)-2-phenylethyl] dihydrogen phosphate
CID 9843301
[(2S)-2-(octanoylamino)-2-phenylethyl] dihydrogen phosphate
CID 9952177
[(1R,2R)-1-(octanoylamino)-1-phenylpropan-2-yl] dihydrogen phosphate
CID 18339729

Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium?
The IUPAC name of [1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium (CID 135064624) is [1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium.
What is the SMILES notation for [1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium?
The canonical SMILES for [1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium is O=C(NCc1ccccc1)C(CCc1ccccc1)O[P+](=O)c1ccccc1.
What is the InChIKey of [1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium?
The InChIKey is FCEDYKSEJHMSPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H22NO3P/c25-23(24-18-20-12-6-2-7-13-20)22(17-16-19-10-4-1-5-11-19)27-28(26)21-14-8-3-9-15-21/h1-15,22H,16-18H2/p+1.
What are the key properties of [1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium?
[1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium has a molecular weight of 392.42 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium is sourced from PubChem (CID 135064624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).