[2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium

C24H27NOP+ — CID 101019181

IUPAC[2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium
SMILESCC(C)(C)NC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26NOP/c1-24(2,3)25-23(26)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
InChIKeyWEUKEFPMZGADTM-UHFFFAOYSA-O
MW376.46 g/mol
LogP3.90
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium

[2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium (PubChem CID 101019181) has the molecular formula C24H27NOP+ and a molecular weight of 376.46 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium
PubChem CID101019181
Molecular FormulaC24H27NOP+
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium
SMILESCC(C)(C)NC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26NOP/c1-24(2,3)25-23(26)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
InChIKeyWEUKEFPMZGADTM-UHFFFAOYSA-O
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium (CID 101019181) is [2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium is CC(C)(C)NC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium?
The InChIKey is WEUKEFPMZGADTM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26NOP/c1-24(2,3)25-23(26)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-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium?
[2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium has a molecular weight of 376.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-triphenylphosphanium is sourced from PubChem (CID 101019181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).