2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide

C5H12BINO2P — CID 88859758

IUPAC2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide
SMILESCCOC(C)C(=O)NB(P)I
InChIInChI=1S/C5H12BINO2P/c1-3-10-4(2)5(9)8-6(7)11/h4H,3,11H2,1-2H3,(H,8,9)
InChIKeyZPOWCHQSVVXZFR-UHFFFAOYSA-N
MW286.85 g/mol
LogP0.82
Rot. Bonds4

About 2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide

2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide (PubChem CID 88859758) has the molecular formula C5H12BINO2P and a molecular weight of 286.85 g/mol. Its IUPAC name is 2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide.

Molecular Properties

Compound Name2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide
PubChem CID88859758
Molecular FormulaC5H12BINO2P
Molecular Weight286.85 g/mol
Exact Mass286.97
IUPAC Name2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide
SMILESCCOC(C)C(=O)NB(P)I
InChIInChI=1S/C5H12BINO2P/c1-3-10-4(2)5(9)8-6(7)11/h4H,3,11H2,1-2H3,(H,8,9)
InChIKeyZPOWCHQSVVXZFR-UHFFFAOYSA-N
XLogP0.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide?
The IUPAC name of 2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide (CID 88859758) is 2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide.
What is the SMILES notation for 2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide?
The canonical SMILES for 2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide is CCOC(C)C(=O)NB(P)I.
What is the InChIKey of 2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide?
The InChIKey is ZPOWCHQSVVXZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BINO2P/c1-3-10-4(2)5(9)8-6(7)11/h4H,3,11H2,1-2H3,(H,8,9).
What are the key properties of 2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide?
2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide has a molecular weight of 286.85 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[iodo(phosphanyl)boranyl]propanamide is sourced from PubChem (CID 88859758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).