N-(2-triphenylphosphaniumylpropan-2-yl)carbamate

C22H22NO2P — CID 87278544

IUPACN-(2-triphenylphosphaniumylpropan-2-yl)carbamate
SMILESCC(C)(NC(=O)[O-])[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c1-22(2,23-21(24)25)26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,23H,1-2H3
InChIKeyZQWJSXPTOVNFJT-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.65
Rot. Bonds5

About N-(2-triphenylphosphaniumylpropan-2-yl)carbamate

N-(2-triphenylphosphaniumylpropan-2-yl)carbamate (PubChem CID 87278544) has the molecular formula C22H22NO2P and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(2-triphenylphosphaniumylpropan-2-yl)carbamate.

Molecular Properties

Compound NameN-(2-triphenylphosphaniumylpropan-2-yl)carbamate
PubChem CID87278544
Molecular FormulaC22H22NO2P
Molecular Weight363.40 g/mol
Exact Mass363.14
IUPAC NameN-(2-triphenylphosphaniumylpropan-2-yl)carbamate
SMILESCC(C)(NC(=O)[O-])[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c1-22(2,23-21(24)25)26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,23H,1-2H3
InChIKeyZQWJSXPTOVNFJT-UHFFFAOYSA-N
XLogP2.65
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-triphenylphosphaniumylpropan-2-yl)carbamate?
The IUPAC name of N-(2-triphenylphosphaniumylpropan-2-yl)carbamate (CID 87278544) is N-(2-triphenylphosphaniumylpropan-2-yl)carbamate.
What is the SMILES notation for N-(2-triphenylphosphaniumylpropan-2-yl)carbamate?
The canonical SMILES for N-(2-triphenylphosphaniumylpropan-2-yl)carbamate is CC(C)(NC(=O)[O-])[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-triphenylphosphaniumylpropan-2-yl)carbamate?
The InChIKey is ZQWJSXPTOVNFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NO2P/c1-22(2,23-21(24)25)26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,23H,1-2H3.
What are the key properties of N-(2-triphenylphosphaniumylpropan-2-yl)carbamate?
N-(2-triphenylphosphaniumylpropan-2-yl)carbamate has a molecular weight of 363.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-triphenylphosphaniumylpropan-2-yl)carbamate is sourced from PubChem (CID 87278544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).