(2,2-dimethylpropanoylamino)methyl-triphenylphosphanium

C24H27NOP+ — CID 4061676

IUPAC(2,2-dimethylpropanoylamino)methyl-triphenylphosphanium
SMILESCC(C)(C)C(=O)NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26NOP/c1-24(2,3)23(26)25-19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,19H2,1-3H3/p+1
InChIKeyWVCBJRFHIFETEQ-UHFFFAOYSA-O
MW376.46 g/mol
LogP4.10
Rot. Bonds5

About (2,2-dimethylpropanoylamino)methyl-triphenylphosphanium

(2,2-dimethylpropanoylamino)methyl-triphenylphosphanium (PubChem CID 4061676) has the molecular formula C24H27NOP+ and a molecular weight of 376.46 g/mol. Its IUPAC name is (2,2-dimethylpropanoylamino)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(2,2-dimethylpropanoylamino)methyl-triphenylphosphanium
PubChem CID4061676
Molecular FormulaC24H27NOP+
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(2,2-dimethylpropanoylamino)methyl-triphenylphosphanium
SMILESCC(C)(C)C(=O)NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26NOP/c1-24(2,3)23(26)25-19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,19H2,1-3H3/p+1
InChIKeyWVCBJRFHIFETEQ-UHFFFAOYSA-O
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Triphenyl-((2,2,2-trifluoro-acetylamino)-methyl)-phosphonium, chloride
CID 24213148
Triphenyl-((2,2,2-trichloro-acetylamino)-methyl)-phosphonium, chloride
CID 45048470
2-(Dimethylcarbamoyl)prop-2-enyl-triphenylphosphanium bromide
CID 164611581
(1-(Dimethylamino)-1-oxopropan-2-yl)triphenylphosphonium bromide
CID 24213348
((2,2-Dimethyl-propionylamino)-methyl)-triphenyl-phosphonium, chloride
CID 126959458
(1-(Dimethylcarbamoyl)ethyl)triphenylphosphonium bromide
CID 126960652
Acetamide, N,N-dimethyl-2-(triphenylphosphoranylidene)-
CID 11046257
Methylcarbamoylmethyl-triphenyl-phosphonium chloride
CID 85777853
2-[chloro(triphenyl)-lambda5-phosphanyl]-N-methylacetamide
CID 134977828
Triphenyl(pivalamidomethyl)phosphonium chloride
CID 11964999
N-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]-2,2,2-trifluoroacetamide
CID 140527057
N-((Diphenylphosphoryl)methyl)acetamide
CID 13736987

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpropanoylamino)methyl-triphenylphosphanium?
The IUPAC name of (2,2-dimethylpropanoylamino)methyl-triphenylphosphanium (CID 4061676) is (2,2-dimethylpropanoylamino)methyl-triphenylphosphanium.
What is the SMILES notation for (2,2-dimethylpropanoylamino)methyl-triphenylphosphanium?
The canonical SMILES for (2,2-dimethylpropanoylamino)methyl-triphenylphosphanium is CC(C)(C)C(=O)NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2-dimethylpropanoylamino)methyl-triphenylphosphanium?
The InChIKey is WVCBJRFHIFETEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26NOP/c1-24(2,3)23(26)25-19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,19H2,1-3H3/p+1.
What are the key properties of (2,2-dimethylpropanoylamino)methyl-triphenylphosphanium?
(2,2-dimethylpropanoylamino)methyl-triphenylphosphanium has a molecular weight of 376.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpropanoylamino)methyl-triphenylphosphanium is sourced from PubChem (CID 4061676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).