N-(3-diphenylphosphanyl-2-oxopropyl)acetamide

C17H18NO2P — CID 131725233

IUPACN-(3-diphenylphosphanyl-2-oxopropyl)acetamide
SMILESCC(=O)NCC(=O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18NO2P/c1-14(19)18-12-15(20)13-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11H,12-13H2,1H3,(H,18,19)
InChIKeyWIGORRVHJCXRCY-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.82
Rot. Bonds6

About N-(3-diphenylphosphanyl-2-oxopropyl)acetamide

N-(3-diphenylphosphanyl-2-oxopropyl)acetamide (PubChem CID 131725233) has the molecular formula C17H18NO2P and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(3-diphenylphosphanyl-2-oxopropyl)acetamide.

Molecular Properties

Compound NameN-(3-diphenylphosphanyl-2-oxopropyl)acetamide
PubChem CID131725233
Molecular FormulaC17H18NO2P
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-(3-diphenylphosphanyl-2-oxopropyl)acetamide
SMILESCC(=O)NCC(=O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18NO2P/c1-14(19)18-12-15(20)13-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11H,12-13H2,1H3,(H,18,19)
InChIKeyWIGORRVHJCXRCY-UHFFFAOYSA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
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 N-(3-diphenylphosphanyl-2-oxopropyl)acetamide?
The IUPAC name of N-(3-diphenylphosphanyl-2-oxopropyl)acetamide (CID 131725233) is N-(3-diphenylphosphanyl-2-oxopropyl)acetamide.
What is the SMILES notation for N-(3-diphenylphosphanyl-2-oxopropyl)acetamide?
The canonical SMILES for N-(3-diphenylphosphanyl-2-oxopropyl)acetamide is CC(=O)NCC(=O)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-diphenylphosphanyl-2-oxopropyl)acetamide?
The InChIKey is WIGORRVHJCXRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NO2P/c1-14(19)18-12-15(20)13-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11H,12-13H2,1H3,(H,18,19).
What are the key properties of N-(3-diphenylphosphanyl-2-oxopropyl)acetamide?
N-(3-diphenylphosphanyl-2-oxopropyl)acetamide has a molecular weight of 299.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-diphenylphosphanyl-2-oxopropyl)acetamide is sourced from PubChem (CID 131725233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).