2-ethoxy-N-phosphanyliminoboranylacetamide

C4H10BN2O2P — CID 58331241

IUPAC2-ethoxy-N-phosphanyliminoboranylacetamide
SMILESCCOCC(=O)N/B=N/P
InChIInChI=1S/C4H10BN2O2P/c1-2-9-3-4(8)6-5-7-10/h2-3,10H2,1H3,(H,6,8)
InChIKeySMZOIHUUZOXLMD-UHFFFAOYSA-N
MW159.92 g/mol
LogP-0.27
Rot. Bonds4

About 2-ethoxy-N-phosphanyliminoboranylacetamide

2-ethoxy-N-phosphanyliminoboranylacetamide (PubChem CID 58331241) has the molecular formula C4H10BN2O2P and a molecular weight of 159.92 g/mol. Its IUPAC name is 2-ethoxy-N-phosphanyliminoboranylacetamide.

Molecular Properties

Compound Name2-ethoxy-N-phosphanyliminoboranylacetamide
PubChem CID58331241
Molecular FormulaC4H10BN2O2P
Molecular Weight159.92 g/mol
Exact Mass160.06
IUPAC Name2-ethoxy-N-phosphanyliminoboranylacetamide
SMILESCCOCC(=O)N/B=N/P
InChIInChI=1S/C4H10BN2O2P/c1-2-9-3-4(8)6-5-7-10/h2-3,10H2,1H3,(H,6,8)
InChIKeySMZOIHUUZOXLMD-UHFFFAOYSA-N
XLogP-0.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.92
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-phosphanyliminoboranylacetamide?
The IUPAC name of 2-ethoxy-N-phosphanyliminoboranylacetamide (CID 58331241) is 2-ethoxy-N-phosphanyliminoboranylacetamide.
What is the SMILES notation for 2-ethoxy-N-phosphanyliminoboranylacetamide?
The canonical SMILES for 2-ethoxy-N-phosphanyliminoboranylacetamide is CCOCC(=O)N/B=N/P.
What is the InChIKey of 2-ethoxy-N-phosphanyliminoboranylacetamide?
The InChIKey is SMZOIHUUZOXLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BN2O2P/c1-2-9-3-4(8)6-5-7-10/h2-3,10H2,1H3,(H,6,8).
What are the key properties of 2-ethoxy-N-phosphanyliminoboranylacetamide?
2-ethoxy-N-phosphanyliminoboranylacetamide has a molecular weight of 159.92 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-phosphanyliminoboranylacetamide is sourced from PubChem (CID 58331241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).