N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide

C10H23N2O4P — CID 59082833

IUPACN-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C(C)N(C)C(C)C(O)P(C)(C)=O
InChIInChI=1S/C10H23N2O4P/c1-7(10(14)17(5,6)16)11(4)8(2)12(15)9(3)13/h7-8,10,14-15H,1-6H3
InChIKeyYSPUGGCNFUCUIW-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.83
Rot. Bonds5

About N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide

N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide (PubChem CID 59082833) has the molecular formula C10H23N2O4P and a molecular weight of 266.28 g/mol. Its IUPAC name is N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide
PubChem CID59082833
Molecular FormulaC10H23N2O4P
Molecular Weight266.28 g/mol
Exact Mass266.14
IUPAC NameN-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C(C)N(C)C(C)C(O)P(C)(C)=O
InChIInChI=1S/C10H23N2O4P/c1-7(10(14)17(5,6)16)11(4)8(2)12(15)9(3)13/h7-8,10,14-15H,1-6H3
InChIKeyYSPUGGCNFUCUIW-UHFFFAOYSA-N
XLogP0.83
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide?
The IUPAC name of N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide (CID 59082833) is N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide?
The canonical SMILES for N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide is CC(=O)N(O)C(C)N(C)C(C)C(O)P(C)(C)=O.
What is the InChIKey of N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide?
The InChIKey is YSPUGGCNFUCUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2O4P/c1-7(10(14)17(5,6)16)11(4)8(2)12(15)9(3)13/h7-8,10,14-15H,1-6H3.
What are the key properties of N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide?
N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide has a molecular weight of 266.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-dimethylphosphoryl-1-hydroxypropan-2-yl)-methylamino]ethyl]-N-hydroxyacetamide is sourced from PubChem (CID 59082833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).