N-(2-triphenylphosphaniumylethyl)carbamate

C21H20NO2P — CID 87554015

IUPACN-(2-triphenylphosphaniumylethyl)carbamate
SMILESO=C([O-])NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NO2P/c23-21(24)22-16-17-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,22H,16-17H2
InChIKeyAFQOPFJGVKLMSV-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.91
Rot. Bonds6

About N-(2-triphenylphosphaniumylethyl)carbamate

N-(2-triphenylphosphaniumylethyl)carbamate (PubChem CID 87554015) has the molecular formula C21H20NO2P and a molecular weight of 349.37 g/mol. Its IUPAC name is N-(2-triphenylphosphaniumylethyl)carbamate.

Molecular Properties

Compound NameN-(2-triphenylphosphaniumylethyl)carbamate
PubChem CID87554015
Molecular FormulaC21H20NO2P
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-(2-triphenylphosphaniumylethyl)carbamate
SMILESO=C([O-])NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NO2P/c23-21(24)22-16-17-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,22H,16-17H2
InChIKeyAFQOPFJGVKLMSV-UHFFFAOYSA-N
XLogP1.91
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-triphenylphosphaniumylpropanoate;hydrobromide
CID 131665697
8-(carboxyamino)octyl-triphenylphosphanium
CID 158859185
7-(carboxyamino)heptyl-triphenylphosphanium bromide
CID 135362749
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate
CID 139068755
bis(2-(dimethylamino)ethyl-triphenylphosphanium) diacetate
CID 173362420
3-methyl-5-triphenylphosphaniumylpentanoate
CID 172859612
(3-amino-3-oxopropyl)-triphenylphosphanium acetate
CID 139243684
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
(2-carboxy-2-deuterioethyl)-triphenylphosphanium
CID 139243686
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300

Frequently Asked Questions

What is the IUPAC name of N-(2-triphenylphosphaniumylethyl)carbamate?
The IUPAC name of N-(2-triphenylphosphaniumylethyl)carbamate (CID 87554015) is N-(2-triphenylphosphaniumylethyl)carbamate.
What is the SMILES notation for N-(2-triphenylphosphaniumylethyl)carbamate?
The canonical SMILES for N-(2-triphenylphosphaniumylethyl)carbamate is O=C([O-])NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-triphenylphosphaniumylethyl)carbamate?
The InChIKey is AFQOPFJGVKLMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20NO2P/c23-21(24)22-16-17-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,22H,16-17H2.
What are the key properties of N-(2-triphenylphosphaniumylethyl)carbamate?
N-(2-triphenylphosphaniumylethyl)carbamate has a molecular weight of 349.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-triphenylphosphaniumylethyl)carbamate is sourced from PubChem (CID 87554015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).