3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium

C24H28N2OP+ — CID 89463085

IUPAC3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium
SMILESCNC(=O)CNCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N2OP/c1-25-24(27)20-26-18-11-19-28(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,26H,11,18-20H2,1H3/p+1
InChIKeyRVQWWRHPAIJDLW-UHFFFAOYSA-O
MW391.48 g/mol
LogP2.71
Rot. Bonds9

About 3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium

3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium (PubChem CID 89463085) has the molecular formula C24H28N2OP+ and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium.

Molecular Properties

Compound Name3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium
PubChem CID89463085
Molecular FormulaC24H28N2OP+
Molecular Weight391.48 g/mol
Exact Mass391.19
IUPAC Name3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium
SMILESCNC(=O)CNCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N2OP/c1-25-24(27)20-26-18-11-19-28(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,26H,11,18-20H2,1H3/p+1
InChIKeyRVQWWRHPAIJDLW-UHFFFAOYSA-O
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(dimethylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium;2,2,2-trifluoroacetate
CID 89462842
8-(carboxyamino)octyl-triphenylphosphanium
CID 158859185
ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide
CID 156866580
7-(carboxyamino)heptyl-triphenylphosphanium bromide
CID 135362749
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
CID 118603839
2-[3-[2-(6-hydroxyhexyl)phenyl]propylamino]-N-methylacetamide
CID 138613909
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
N-methyl-2-(propylamino)acetamide
CID 28586328
3-(bromoamino)propyl-triphenylphosphanium bromide
CID 174219863

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium?
The IUPAC name of 3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium (CID 89463085) is 3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium.
What is the SMILES notation for 3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium?
The canonical SMILES for 3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium is CNC(=O)CNCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium?
The InChIKey is RVQWWRHPAIJDLW-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H27N2OP/c1-25-24(27)20-26-18-11-19-28(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,26H,11,18-20H2,1H3/p+1.
What are the key properties of 3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium?
3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium has a molecular weight of 391.48 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium is sourced from PubChem (CID 89463085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).