triphenyl-(propan-2-ylamino)phosphanium carbamate

C22H25N2O2P — CID 174800996

IUPACtriphenyl-(propan-2-ylamino)phosphanium carbamate
SMILESCC(C)N[P+](c1ccccc1)(c1ccccc1)c1ccccc1.NC(=O)[O-]
InChIInChI=1S/C21H23NP.CH3NO2/c1-18(2)22-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3)4/h3-18,22H,1-2H3;2H2,(H,3,4)/q+1;/p-1
InChIKeyXJUQDKDEHDTLJD-UHFFFAOYSA-M
MW380.43 g/mol
LogP2.18
Rot. Bonds5

About triphenyl-(propan-2-ylamino)phosphanium carbamate

triphenyl-(propan-2-ylamino)phosphanium carbamate (PubChem CID 174800996) has the molecular formula C22H25N2O2P and a molecular weight of 380.43 g/mol. Its IUPAC name is triphenyl-(propan-2-ylamino)phosphanium carbamate.

Molecular Properties

Compound Nametriphenyl-(propan-2-ylamino)phosphanium carbamate
PubChem CID174800996
Molecular FormulaC22H25N2O2P
Molecular Weight380.43 g/mol
Exact Mass380.17
IUPAC Nametriphenyl-(propan-2-ylamino)phosphanium carbamate
SMILESCC(C)N[P+](c1ccccc1)(c1ccccc1)c1ccccc1.NC(=O)[O-]
InChIInChI=1S/C21H23NP.CH3NO2/c1-18(2)22-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3)4/h3-18,22H,1-2H3;2H2,(H,3,4)/q+1;/p-1
InChIKeyXJUQDKDEHDTLJD-UHFFFAOYSA-M
XLogP2.18
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl-(propan-2-ylamino)phosphanium carbamate?
The IUPAC name of triphenyl-(propan-2-ylamino)phosphanium carbamate (CID 174800996) is triphenyl-(propan-2-ylamino)phosphanium carbamate.
What is the SMILES notation for triphenyl-(propan-2-ylamino)phosphanium carbamate?
The canonical SMILES for triphenyl-(propan-2-ylamino)phosphanium carbamate is CC(C)N[P+](c1ccccc1)(c1ccccc1)c1ccccc1.NC(=O)[O-].
What is the InChIKey of triphenyl-(propan-2-ylamino)phosphanium carbamate?
The InChIKey is XJUQDKDEHDTLJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H23NP.CH3NO2/c1-18(2)22-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3)4/h3-18,22H,1-2H3;2H2,(H,3,4)/q+1;/p-1.
What are the key properties of triphenyl-(propan-2-ylamino)phosphanium carbamate?
triphenyl-(propan-2-ylamino)phosphanium carbamate has a molecular weight of 380.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(propan-2-ylamino)phosphanium carbamate is sourced from PubChem (CID 174800996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).