N-(1-triphenylphosphaniumylpropan-2-yl)carbamate

C22H22NO2P — CID 146440989

IUPACN-(1-triphenylphosphaniumylpropan-2-yl)carbamate
SMILESCC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[O-]
InChIInChI=1S/C22H22NO2P/c1-18(23-22(24)25)17-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,23H,17H2,1H3
InChIKeyVECBBRAGTXNPQN-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.30
Rot. Bonds6

About N-(1-triphenylphosphaniumylpropan-2-yl)carbamate

N-(1-triphenylphosphaniumylpropan-2-yl)carbamate (PubChem CID 146440989) has the molecular formula C22H22NO2P and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(1-triphenylphosphaniumylpropan-2-yl)carbamate.

Molecular Properties

Compound NameN-(1-triphenylphosphaniumylpropan-2-yl)carbamate
PubChem CID146440989
Molecular FormulaC22H22NO2P
Molecular Weight363.40 g/mol
Exact Mass363.14
IUPAC NameN-(1-triphenylphosphaniumylpropan-2-yl)carbamate
SMILESCC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[O-]
InChIInChI=1S/C22H22NO2P/c1-18(23-22(24)25)17-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,23H,17H2,1H3
InChIKeyVECBBRAGTXNPQN-UHFFFAOYSA-N
XLogP2.30
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.30
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-(1-triphenylphosphaniumylpropan-2-yl)carbamate?
The IUPAC name of N-(1-triphenylphosphaniumylpropan-2-yl)carbamate (CID 146440989) is N-(1-triphenylphosphaniumylpropan-2-yl)carbamate.
What is the SMILES notation for N-(1-triphenylphosphaniumylpropan-2-yl)carbamate?
The canonical SMILES for N-(1-triphenylphosphaniumylpropan-2-yl)carbamate is CC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[O-].
What is the InChIKey of N-(1-triphenylphosphaniumylpropan-2-yl)carbamate?
The InChIKey is VECBBRAGTXNPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NO2P/c1-18(23-22(24)25)17-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,23H,17H2,1H3.
What are the key properties of N-(1-triphenylphosphaniumylpropan-2-yl)carbamate?
N-(1-triphenylphosphaniumylpropan-2-yl)carbamate has a molecular weight of 363.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-triphenylphosphaniumylpropan-2-yl)carbamate is sourced from PubChem (CID 146440989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).