[2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid

C16H36N4O6P2 — CID 135178516

IUPAC[2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid
SMILESCC1CN(P(=O)(OCC2CN(P(=O)(O)N(C)C)CC(C)O2)N(C)C)CC(C)O1
InChIInChI=1S/C16H36N4O6P2/c1-13-9-20(10-14(2)25-13)28(23,18(6)7)24-12-16-11-19(8-15(3)26-16)27(21,22)17(4)5/h13-16H,8-12H2,1-7H3,(H,21,22)
InChIKeyNYVDJAPJMJGLHD-UHFFFAOYSA-N
MW442.43 g/mol
LogP1.53
Rot. Bonds7

About [2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid

[2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid (PubChem CID 135178516) has the molecular formula C16H36N4O6P2 and a molecular weight of 442.43 g/mol. Its IUPAC name is [2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid.

Molecular Properties

Compound Name[2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid
PubChem CID135178516
Molecular FormulaC16H36N4O6P2
Molecular Weight442.43 g/mol
Exact Mass442.21
IUPAC Name[2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid
SMILESCC1CN(P(=O)(OCC2CN(P(=O)(O)N(C)C)CC(C)O2)N(C)C)CC(C)O1
InChIInChI=1S/C16H36N4O6P2/c1-13-9-20(10-14(2)25-13)28(23,18(6)7)24-12-16-11-19(8-15(3)26-16)27(21,22)17(4)5/h13-16H,8-12H2,1-7H3,(H,21,22)
InChIKeyNYVDJAPJMJGLHD-UHFFFAOYSA-N
XLogP1.53
TPSA95.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid?
The IUPAC name of [2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid (CID 135178516) is [2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid.
What is the SMILES notation for [2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid?
The canonical SMILES for [2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid is CC1CN(P(=O)(OCC2CN(P(=O)(O)N(C)C)CC(C)O2)N(C)C)CC(C)O1.
What is the InChIKey of [2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid?
The InChIKey is NYVDJAPJMJGLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4O6P2/c1-13-9-20(10-14(2)25-13)28(23,18(6)7)24-12-16-11-19(8-15(3)26-16)27(21,22)17(4)5/h13-16H,8-12H2,1-7H3,(H,21,22).
What are the key properties of [2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid?
[2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid has a molecular weight of 442.43 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[dimethylamino-(2,6-dimethylmorpholin-4-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-N,N-dimethylphosphonamidic acid is sourced from PubChem (CID 135178516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).