2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide

C11H24NO4P — CID 21027139

IUPAC2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide
SMILESCCOP(=O)(CC(=O)NCC(C)(C)C)OCC
InChIInChI=1S/C11H24NO4P/c1-6-15-17(14,16-7-2)8-10(13)12-9-11(3,4)5/h6-9H2,1-5H3,(H,12,13)
InChIKeyUKKOLDAZNXQFCT-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.41
Rot. Bonds7

About 2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide

2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide (PubChem CID 21027139) has the molecular formula C11H24NO4P and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide
PubChem CID21027139
Molecular FormulaC11H24NO4P
Molecular Weight265.29 g/mol
Exact Mass265.14
IUPAC Name2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide
SMILESCCOP(=O)(CC(=O)NCC(C)(C)C)OCC
InChIInChI=1S/C11H24NO4P/c1-6-15-17(14,16-7-2)8-10(13)12-9-11(3,4)5/h6-9H2,1-5H3,(H,12,13)
InChIKeyUKKOLDAZNXQFCT-UHFFFAOYSA-N
XLogP2.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide 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

ethyl 2-diethoxyphosphorylacetate
CID 10911236
N-[3-[2,2-bis[3-[(2-diethoxyphosphorylacetyl)amino]propoxymethyl]butoxy]propyl]-2-diethoxyphosphorylacetamide
CID 101424883
2-diethoxyphosphoryl-N-hex-5-enylacetamide
CID 102260976
2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide
CID 71511611
N-cyclohexyl-2-diethoxyphosphorylacetamide
CID 88915385
2-diethoxyphosphoryl-N-phenylacetamide
CID 12520780
2-bromo-N-(diethoxyphosphorylmethyl)acetamide
CID 54463736
2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide
CID 86592927
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
2-diethoxyphosphoryl-N,N-diethylacetamide
CID 13124144
N-(4-bromophenyl)-2-diethoxyphosphorylacetamide
CID 56955833
tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
CID 134929543

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide (CID 21027139) is 2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide is CCOP(=O)(CC(=O)NCC(C)(C)C)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is UKKOLDAZNXQFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO4P/c1-6-15-17(14,16-7-2)8-10(13)12-9-11(3,4)5/h6-9H2,1-5H3,(H,12,13).
What are the key properties of 2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide?
2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 265.29 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 21027139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).