1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide

C8H18NO5P — CID 10681444

IUPAC1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide
SMILESCC(C)OP(=O)(OC(C)C)C(=O)N(C)O
InChIInChI=1S/C8H18NO5P/c1-6(2)13-15(12,14-7(3)4)8(10)9(5)11/h6-7,11H,1-5H3
InChIKeyJRXMCRMOSIYZME-UHFFFAOYSA-N
MW239.21 g/mol
LogP2.47
Rot. Bonds5

About 1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide

1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide (PubChem CID 10681444) has the molecular formula C8H18NO5P and a molecular weight of 239.21 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide
PubChem CID10681444
Molecular FormulaC8H18NO5P
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC Name1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide
SMILESCC(C)OP(=O)(OC(C)C)C(=O)N(C)O
InChIInChI=1S/C8H18NO5P/c1-6(2)13-15(12,14-7(3)4)8(10)9(5)11/h6-7,11H,1-5H3
InChIKeyJRXMCRMOSIYZME-UHFFFAOYSA-N
XLogP2.47
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide
CID 4204254
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one
CID 125475807
N,N-dimethyl-propan-2-yloxyphosphonamidic acid
CID 14117490
1-di(propan-2-yloxy)phosphorylbutan-1-one
CID 15685101
N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-2-amine
CID 58400114
(E)-1-di(propan-2-yloxy)phosphorylpent-2-en-1-one
CID 125476499
2-[di(propan-2-yloxy)phosphorylcarbothioylamino]propanoic acid
CID 10968492
1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one
CID 158910314
2-dimethylphosphoryloxypropane
CID 12572720
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
(1E,3E)-2,4-bis[di(propan-2-yloxy)phosphoryl]buta-1,3-dien-1-ol
CID 23265977
ethyl di(propan-2-yloxy)phosphorylmethanedithioate
CID 11777924

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide?
The IUPAC name of 1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide (CID 10681444) is 1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide?
The canonical SMILES for 1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide is CC(C)OP(=O)(OC(C)C)C(=O)N(C)O.
What is the InChIKey of 1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide?
The InChIKey is JRXMCRMOSIYZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO5P/c1-6(2)13-15(12,14-7(3)4)8(10)9(5)11/h6-7,11H,1-5H3.
What are the key properties of 1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide?
1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide has a molecular weight of 239.21 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide is sourced from PubChem (CID 10681444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).