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

C20H24ClNO3P+ — CID 135066360

IUPAC[1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium
SMILESCC(C)(C)NC(=O)C(CCc1ccccc1)O[P+](=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClNO3P/c1-20(2,3)22-19(23)18(14-9-15-7-5-4-6-8-15)25-26(24)17-12-10-16(21)11-13-17/h4-8,10-13,18H,9,14H2,1-3H3/p+1
InChIKeyMAJGIFBSHSENDM-UHFFFAOYSA-O
MW392.84 g/mol
LogP4.64
Rot. Bonds7

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

[1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium (PubChem CID 135066360) has the molecular formula C20H24ClNO3P+ and a molecular weight of 392.84 g/mol. Its IUPAC name is [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium.

Molecular Properties

Compound Name[1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium
PubChem CID135066360
Molecular FormulaC20H24ClNO3P+
Molecular Weight392.84 g/mol
Exact Mass392.12
IUPAC Name[1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium
SMILESCC(C)(C)NC(=O)C(CCc1ccccc1)O[P+](=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClNO3P/c1-20(2,3)22-19(23)18(14-9-15-7-5-4-6-8-15)25-26(24)17-12-10-16(21)11-13-17/h4-8,10-13,18H,9,14H2,1-3H3/p+1
InChIKeyMAJGIFBSHSENDM-UHFFFAOYSA-O
XLogP4.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.64
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

N-tert-butyl-2-[[(2-chlorophenyl)-hydroxymethyl]-phenylphosphoryl]oxy-4-phenylbutanamide
CID 122214537
N-tert-butyl-2-[[(3-chlorophenyl)-hydroxymethyl]-phenylphosphoryl]oxy-4-phenylbutanamide
CID 122214538
N-tert-butyl-2-[[(4-chlorophenyl)-hydroxymethyl]-phenylphosphoryl]oxy-4-phenylbutanamide
CID 122214539
[1-(Tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium
CID 135064192
Oxo-[1-oxo-4-phenyl-1-(2,4,4-trimethylpentan-2-ylamino)butan-2-yl]oxy-phenylphosphanium
CID 135064193
[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-[(4-chlorophenyl)-[hydroxy(phenyl)methyl]phosphoryl]oxy-4-phenylbutanamide
CID 135066362

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium?
The IUPAC name of [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium (CID 135066360) is [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium.
What is the SMILES notation for [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium?
The canonical SMILES for [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium is CC(C)(C)NC(=O)C(CCc1ccccc1)O[P+](=O)c1ccc(Cl)cc1.
What is the InChIKey of [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium?
The InChIKey is MAJGIFBSHSENDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23ClNO3P/c1-20(2,3)22-19(23)18(14-9-15-7-5-4-6-8-15)25-26(24)17-12-10-16(21)11-13-17/h4-8,10-13,18H,9,14H2,1-3H3/p+1.
What are the key properties of [1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium?
[1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]oxy-(4-chlorophenyl)-oxophosphanium has a molecular weight of 392.84 g/mol, XLogP of 4.64, 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-(4-chlorophenyl)-oxophosphanium is sourced from PubChem (CID 135066360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).