diphenylphosphanyl N,N-diethylcarbamate

C17H20NO2P — CID 12793809

IUPACdiphenylphosphanyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20NO2P/c1-3-18(4-2)17(19)20-21(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyNCBNGFFLDUCWRI-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.51
Rot. Bonds5

About diphenylphosphanyl N,N-diethylcarbamate

diphenylphosphanyl N,N-diethylcarbamate (PubChem CID 12793809) has the molecular formula C17H20NO2P and a molecular weight of 301.33 g/mol. Its IUPAC name is diphenylphosphanyl N,N-diethylcarbamate.

Molecular Properties

Compound Namediphenylphosphanyl N,N-diethylcarbamate
PubChem CID12793809
Molecular FormulaC17H20NO2P
Molecular Weight301.33 g/mol
Exact Mass301.12
IUPAC Namediphenylphosphanyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20NO2P/c1-3-18(4-2)17(19)20-21(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyNCBNGFFLDUCWRI-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(diphenylphosphoryl)-N,N-diethylethanamine
CID 785453
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N-[(diphenylphosphoryl)methyl]-N-ethylethanamine
CID 796655
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
diphenyl-N,N-dibutyl-carbamoylphosphineoxide
CID 15461320
2-(Diphenylphosphoryl)-N,N-diethylethyn-1-amine
CID 12494027
Acetamide, 2-(diphenylphosphinothioyl)-N,N-diethyl-
CID 796778
2-(Diphenylphosphoryl)-N,N-bis(2-methylpropyl)acetamide
CID 13972021
2-(Diphenylphosphoryl)-N,N-dimethylacetamide
CID 14897379
Ethanamine, N-[(diphenylphosphino)methyl]-N-ethyl-
CID 4489219
Diphenyl(dibutylcarba-moylmethyl)phosphine
CID 15769528

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanyl N,N-diethylcarbamate?
The IUPAC name of diphenylphosphanyl N,N-diethylcarbamate (CID 12793809) is diphenylphosphanyl N,N-diethylcarbamate.
What is the SMILES notation for diphenylphosphanyl N,N-diethylcarbamate?
The canonical SMILES for diphenylphosphanyl N,N-diethylcarbamate is CCN(CC)C(=O)OP(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphanyl N,N-diethylcarbamate?
The InChIKey is NCBNGFFLDUCWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO2P/c1-3-18(4-2)17(19)20-21(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of diphenylphosphanyl N,N-diethylcarbamate?
diphenylphosphanyl N,N-diethylcarbamate has a molecular weight of 301.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl N,N-diethylcarbamate is sourced from PubChem (CID 12793809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).