2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide

C19H23N2O2P — CID 139600058

IUPAC2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N2O2P/c1-20(2)19(22)21-15-9-14-18(21)24(23,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3
InChIKeyGBPJJQIYOVNZJA-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.10
Rot. Bonds3

About 2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide

2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 139600058) has the molecular formula C19H23N2O2P and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID139600058
Molecular FormulaC19H23N2O2P
Molecular Weight342.38 g/mol
Exact Mass342.15
IUPAC Name2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N2O2P/c1-20(2)19(22)21-15-9-14-18(21)24(23,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3
InChIKeyGBPJJQIYOVNZJA-UHFFFAOYSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.10
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-dipropylacetamide
CID 2193730
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
diphenyl-N,N-dibutyl-carbamoylphosphineoxide
CID 15461320
(2S)-2-(diphenylphosphanylmethyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 11121360
N-{[3-(Diethylamino)propyl]carbamoyl}-P,P-diphenylphosphinic amide
CID 71446298
N-(n-Butyl)-N'-(diphenylphosphinyl)harnstoff
CID 129647173
phenyl-N,N-dibutylcarbamoyl-methylphosphine oxide
CID 129762814
2-(Diphenylphosphoryl)pyrrolidine-1-carboxamide
CID 139600015
[2-(Diphenylphosphoryl)pyrrolidin-1-yl](morpholino)methanone
CID 139600105
2-Pyrrolidinone, 1-[(diphenylphosphinyl)methyl]-
CID 10086097
Ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate
CID 10854845
(2S)-2-[bis(2-methylphenyl)phosphanylmethyl]-N,N-di(propan-2-yl)pyrrolidine-1-carboxamide
CID 101537935

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of 2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide (CID 139600058) is 2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide is CN(C)C(=O)N1CCCC1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is GBPJJQIYOVNZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2O2P/c1-20(2)19(22)21-15-9-14-18(21)24(23,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide?
2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 139600058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).