2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide

C6H14NO7P — CID 18615916

IUPAC2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide
SMILESCOOP(=O)(OOC)C(C)C(=O)NCO
InChIInChI=1S/C6H14NO7P/c1-5(6(9)7-4-8)15(10,13-11-2)14-12-3/h5,8H,4H2,1-3H3,(H,7,9)
InChIKeyVXBHPHBYBJEZHZ-UHFFFAOYSA-N
MW243.15 g/mol
LogP-0.21
Rot. Bonds7

About 2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide

2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide (PubChem CID 18615916) has the molecular formula C6H14NO7P and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide.

Molecular Properties

Compound Name2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide
PubChem CID18615916
Molecular FormulaC6H14NO7P
Molecular Weight243.15 g/mol
Exact Mass243.05
IUPAC Name2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide
SMILESCOOP(=O)(OOC)C(C)C(=O)NCO
InChIInChI=1S/C6H14NO7P/c1-5(6(9)7-4-8)15(10,13-11-2)14-12-3/h5,8H,4H2,1-3H3,(H,7,9)
InChIKeyVXBHPHBYBJEZHZ-UHFFFAOYSA-N
XLogP-0.21
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide?
The IUPAC name of 2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide (CID 18615916) is 2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide.
What is the SMILES notation for 2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide?
The canonical SMILES for 2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide is COOP(=O)(OOC)C(C)C(=O)NCO.
What is the InChIKey of 2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide?
The InChIKey is VXBHPHBYBJEZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO7P/c1-5(6(9)7-4-8)15(10,13-11-2)14-12-3/h5,8H,4H2,1-3H3,(H,7,9).
What are the key properties of 2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide?
2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide has a molecular weight of 243.15 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(methylperoxy)phosphoryl-N-(hydroxymethyl)propanamide is sourced from PubChem (CID 18615916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).