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

C20H25NO3P+ — CID 135064192

IUPAC[1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium
SMILESCC(C)(C)NC(=O)C(CCc1ccccc1)O[P+](=O)c1ccccc1
InChIInChI=1S/C20H24NO3P/c1-20(2,3)21-19(22)18(15-14-16-10-6-4-7-11-16)24-25(23)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3/p+1
InChIKeyUBYXKJDJTUQZDD-UHFFFAOYSA-O
MW358.40 g/mol
LogP3.99
Rot. Bonds7

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

[1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium (PubChem CID 135064192) has the molecular formula C20H25NO3P+ and a molecular weight of 358.40 g/mol. Its IUPAC name is [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium.

Molecular Properties

Compound Name[1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium
PubChem CID135064192
Molecular FormulaC20H25NO3P+
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name[1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium
SMILESCC(C)(C)NC(=O)C(CCc1ccccc1)O[P+](=O)c1ccccc1
InChIInChI=1S/C20H24NO3P/c1-20(2,3)21-19(22)18(15-14-16-10-6-4-7-11-16)24-25(23)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3/p+1
InChIKeyUBYXKJDJTUQZDD-UHFFFAOYSA-O
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-hydroxy-4-phenylbutanamide
CID 72998744
(2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide
CID 11535992
N-tert-butyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxy-4-phenylbutanamide
CID 122214540
N-tert-butyl-2-[(1-hydroxy-3-phenylpropyl)-phenylphosphoryl]oxy-4-phenylbutanamide
CID 122214542
N-tert-butyl-2-[(1-hydroxy-3-phenylprop-2-ynyl)-phenylphosphoryl]oxy-4-phenylbutanamide
CID 122214548
Oxo-[1-oxo-4-phenyl-1-(2,4,4-trimethylpentan-2-ylamino)butan-2-yl]oxy-phenylphosphanium
CID 135064193
[1-(Cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium
CID 135064623
[1-(Benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium
CID 135064624
[2-(Tert-butylamino)-1-cyclohexyl-2-oxoethoxy]-oxo-phenylphosphanium
CID 135065508
[1-(Tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-methylphenyl)-oxophosphanium
CID 135065870
N-tert-butyl-2-[[cyclohexyl(hydroxy)methyl]-phenylphosphoryl]oxy-4-phenylbutanamide
CID 135065871
N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide
CID 135065872

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium?
The IUPAC name of [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium (CID 135064192) is [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium.
What is the SMILES notation for [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium?
The canonical SMILES for [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium is CC(C)(C)NC(=O)C(CCc1ccccc1)O[P+](=O)c1ccccc1.
What is the InChIKey of [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium?
The InChIKey is UBYXKJDJTUQZDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24NO3P/c1-20(2,3)21-19(22)18(15-14-16-10-6-4-7-11-16)24-25(23)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3/p+1.
What are the key properties of [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium?
[1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium has a molecular weight of 358.40 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium is sourced from PubChem (CID 135064192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).