1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

C20H24N3O3P — CID 155920022

IUPAC1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N3O3P/c24-19-13-7-15-23(19)16-8-14-21-20(25)22-27(26,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H2,21,22,25,26)
InChIKeyQBZFYLNYDMZMTE-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.23
Rot. Bonds7

About 1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 155920022) has the molecular formula C20H24N3O3P and a molecular weight of 385.40 g/mol. Its IUPAC name is 1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID155920022
Molecular FormulaC20H24N3O3P
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N3O3P/c24-19-13-7-15-23(19)16-8-14-21-20(25)22-27(26,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H2,21,22,25,26)
InChIKeyQBZFYLNYDMZMTE-UHFFFAOYSA-N
XLogP2.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-{[3-(Diethylamino)propyl]carbamoyl}-P,P-diphenylphosphinic amide
CID 71446298
N-(3-aminopropyl)diphenylphosphorylacetamide
CID 86087456
N-(n-Butyl)-N'-(diphenylphosphinyl)harnstoff
CID 129647173
2-(diphenylphosphoryl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 129770693
2-(Diphenylphosphoryl)pyrrolidine-1-carboxamide
CID 139600015
N-(3-(diethylamino)propyl)diphenylphosphorylacetamide
CID 154585283
N-(diphenylphosphoryl)-N'-n-propylurea
CID 155919950
2-Pyrrolidinone, 1-[(diphenylphosphinyl)methyl]-
CID 10086097
(2-Oxopyrrolidin-3-yl)-triphenylphosphanium
CID 10788547
3-(Triphenyl-lambda5-phosphanylidene)pyrrolidin-2-one
CID 13914210
(1-Carbamoyl-2-oxopyrrolidin-3-yl)triphenylphosphonium bromide
CID 19022136
(1-Carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium
CID 19022137

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 155920022) is 1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is O=C(NCCCN1CCCC1=O)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is QBZFYLNYDMZMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N3O3P/c24-19-13-7-15-23(19)16-8-14-21-20(25)22-27(26,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H2,21,22,25,26).
What are the key properties of 1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 385.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 155920022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).