N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide

C12H16NO5P — CID 102237286

IUPACN-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide
SMILESCOP(=O)(OC)C(NC(C)=O)C(=O)c1ccccc1
InChIInChI=1S/C12H16NO5P/c1-9(14)13-12(19(16,17-2)18-3)11(15)10-7-5-4-6-8-10/h4-8,12H,1-3H3,(H,13,14)
InChIKeyDPRWCCJQPZZKAM-UHFFFAOYSA-N
MW285.24 g/mol
LogP1.82
Rot. Bonds6

About N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide

N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide (PubChem CID 102237286) has the molecular formula C12H16NO5P and a molecular weight of 285.24 g/mol. Its IUPAC name is N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide
PubChem CID102237286
Molecular FormulaC12H16NO5P
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC NameN-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide
SMILESCOP(=O)(OC)C(NC(C)=O)C(=O)c1ccccc1
InChIInChI=1S/C12H16NO5P/c1-9(14)13-12(19(16,17-2)18-3)11(15)10-7-5-4-6-8-10/h4-8,12H,1-3H3,(H,13,14)
InChIKeyDPRWCCJQPZZKAM-UHFFFAOYSA-N
XLogP1.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 51.82
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 N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide?
The IUPAC name of N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide (CID 102237286) is N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide.
What is the SMILES notation for N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide?
The canonical SMILES for N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide is COP(=O)(OC)C(NC(C)=O)C(=O)c1ccccc1.
What is the InChIKey of N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide?
The InChIKey is DPRWCCJQPZZKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO5P/c1-9(14)13-12(19(16,17-2)18-3)11(15)10-7-5-4-6-8-10/h4-8,12H,1-3H3,(H,13,14).
What are the key properties of N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide?
N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide has a molecular weight of 285.24 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide is sourced from PubChem (CID 102237286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).