methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate

C16H18NO2P — CID 14591965

IUPACmethyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate
SMILESCCP(=NC(=O)OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18NO2P/c1-3-20(17-16(18)19-2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKeyUWFXZKGGBRQZHF-UHFFFAOYSA-N
MW287.30 g/mol
LogP3.62
Rot. Bonds3

About methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate

methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate (PubChem CID 14591965) has the molecular formula C16H18NO2P and a molecular weight of 287.30 g/mol. Its IUPAC name is methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate.

Molecular Properties

Compound Namemethyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate
PubChem CID14591965
Molecular FormulaC16H18NO2P
Molecular Weight287.30 g/mol
Exact Mass287.11
IUPAC Namemethyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate
SMILESCCP(=NC(=O)OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18NO2P/c1-3-20(17-16(18)19-2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKeyUWFXZKGGBRQZHF-UHFFFAOYSA-N
XLogP3.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
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 methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate?
The IUPAC name of methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate (CID 14591965) is methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate.
What is the SMILES notation for methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate?
The canonical SMILES for methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate is CCP(=NC(=O)OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate?
The InChIKey is UWFXZKGGBRQZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO2P/c1-3-20(17-16(18)19-2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3.
What are the key properties of methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate?
methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate has a molecular weight of 287.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[ethyl(diphenyl)-lambda5-phosphanylidene]carbamate is sourced from PubChem (CID 14591965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).