N-(2-phosphonatoethyl)acetamide

C4H8NO4P-2 — CID 122706222

IUPACN-(2-phosphonatoethyl)acetamide
SMILESCC(=O)NCCP(=O)([O-])[O-]
InChIInChI=1S/C4H10NO4P/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)/p-2
InChIKeyACVGHZIZZPJLSQ-UHFFFAOYSA-L
MW165.08 g/mol
LogP-1.96
Rot. Bonds3

About N-(2-phosphonatoethyl)acetamide

N-(2-phosphonatoethyl)acetamide (PubChem CID 122706222) has the molecular formula C4H8NO4P-2 and a molecular weight of 165.08 g/mol. Its IUPAC name is N-(2-phosphonatoethyl)acetamide.

Molecular Properties

Compound NameN-(2-phosphonatoethyl)acetamide
PubChem CID122706222
Molecular FormulaC4H8NO4P-2
Molecular Weight165.08 g/mol
Exact Mass165.02
IUPAC NameN-(2-phosphonatoethyl)acetamide
SMILESCC(=O)NCCP(=O)([O-])[O-]
InChIInChI=1S/C4H10NO4P/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)/p-2
InChIKeyACVGHZIZZPJLSQ-UHFFFAOYSA-L
XLogP-1.96
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.08
LogP ≤ 5-1.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-phosphonatoethyl)acetamide?
The IUPAC name of N-(2-phosphonatoethyl)acetamide (CID 122706222) is N-(2-phosphonatoethyl)acetamide.
What is the SMILES notation for N-(2-phosphonatoethyl)acetamide?
The canonical SMILES for N-(2-phosphonatoethyl)acetamide is CC(=O)NCCP(=O)([O-])[O-].
What is the InChIKey of N-(2-phosphonatoethyl)acetamide?
The InChIKey is ACVGHZIZZPJLSQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10NO4P/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)/p-2.
What are the key properties of N-(2-phosphonatoethyl)acetamide?
N-(2-phosphonatoethyl)acetamide has a molecular weight of 165.08 g/mol, XLogP of -1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phosphonatoethyl)acetamide is sourced from PubChem (CID 122706222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).