[2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium

C32H40N4O4P+ — CID 23387096

IUPAC[2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium
SMILESCCC(=O)NCCCNC(=O)CC(=O)NCCCNC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H39N4O4P/c1-2-29(37)33-20-12-21-34-30(38)24-31(39)35-22-13-23-36-32(40)25-41(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,14-19H,2,12-13,20-25H2,1H3,(H3-,33,34,35,36,37,38,39,40)/p+1
InChIKeyRCVQHUVFKFFOCI-UHFFFAOYSA-O
MW575.67 g/mol
LogP2.03
Rot. Bonds16

About [2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium

[2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium (PubChem CID 23387096) has the molecular formula C32H40N4O4P+ and a molecular weight of 575.67 g/mol. Its IUPAC name is [2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium
PubChem CID23387096
Molecular FormulaC32H40N4O4P+
Molecular Weight575.67 g/mol
Exact Mass575.28
IUPAC Name[2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium
SMILESCCC(=O)NCCCNC(=O)CC(=O)NCCCNC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H39N4O4P/c1-2-29(37)33-20-12-21-34-30(38)24-31(39)35-22-13-23-36-32(40)25-41(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,14-19H,2,12-13,20-25H2,1H3,(H3-,33,34,35,36,37,38,39,40)/p+1
InChIKeyRCVQHUVFKFFOCI-UHFFFAOYSA-O
XLogP2.03
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.67
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-Dimethylpropanoylamino)ethyl-triphenylphosphanium
CID 46933855
N-(3-aminopropyl)diphenylphosphorylacetamide
CID 86087456
N-(3-(diethylamino)propyl)diphenylphosphorylacetamide
CID 154585283
[2-(2-Methylpropylamino)-2-oxoethyl]-triphenylphosphanium chloride
CID 10993311
2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide
CID 12917275
(N-n-Butylcarbamoyl)methyltriphenylphosphonium Chloride
CID 19603925
N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 19906175
N-propyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 19906205
[2-[3-[Carboxymethyl-[3-(propanoylamino)propanoyl]amino]propylamino]-2-oxoethyl]-triphenylphosphanium
CID 23386976
[2-Oxo-2-[3-[3-[(2-triphenylphosphaniumylacetyl)amino]propylcarbamoylamino]propylamino]ethyl]-triphenylphosphanium
CID 23387097
[2-Oxo-2-[3-[3-[(2-triphenylphosphaniumylacetyl)amino]propylsulfamoylamino]propylamino]ethyl]-triphenylphosphanium
CID 23387098
3-diphenylphosphanyl-N-octadecylpropanamide
CID 54006098

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium?
The IUPAC name of [2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium (CID 23387096) is [2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium.
What is the SMILES notation for [2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium?
The canonical SMILES for [2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium is CCC(=O)NCCCNC(=O)CC(=O)NCCCNC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium?
The InChIKey is RCVQHUVFKFFOCI-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H39N4O4P/c1-2-29(37)33-20-12-21-34-30(38)24-31(39)35-22-13-23-36-32(40)25-41(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,14-19H,2,12-13,20-25H2,1H3,(H3-,33,34,35,36,37,38,39,40)/p+1.
What are the key properties of [2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium?
[2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium has a molecular weight of 575.67 g/mol, XLogP of 2.03, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-[[3-oxo-3-[3-(propanoylamino)propylamino]propanoyl]amino]propylamino]ethyl]-triphenylphosphanium is sourced from PubChem (CID 23387096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).