2-diethoxyphosphoryl-N-phenylacetamide

C12H18NO4P — CID 12520780

IUPAC2-diethoxyphosphoryl-N-phenylacetamide
SMILESCCOP(=O)(CC(=O)Nc1ccccc1)OCC
InChIInChI=1S/C12H18NO4P/c1-3-16-18(15,17-4-2)10-12(14)13-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyXLSQHDWSRFSZNJ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.89
Rot. Bonds7

About 2-diethoxyphosphoryl-N-phenylacetamide

2-diethoxyphosphoryl-N-phenylacetamide (PubChem CID 12520780) has the molecular formula C12H18NO4P and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-phenylacetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-phenylacetamide
PubChem CID12520780
Molecular FormulaC12H18NO4P
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name2-diethoxyphosphoryl-N-phenylacetamide
SMILESCCOP(=O)(CC(=O)Nc1ccccc1)OCC
InChIInChI=1S/C12H18NO4P/c1-3-16-18(15,17-4-2)10-12(14)13-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyXLSQHDWSRFSZNJ-UHFFFAOYSA-N
XLogP2.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-diethoxyphosphorylacetamide
CID 56955833
methyl 4-[(2-diethoxyphosphorylacetyl)amino]benzoate
CID 87383699
1-(diethoxyphosphorylmethyl)-3-phenylurea
CID 2301679
2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide
CID 56955836
[2-[(2-diethoxyphosphorylacetyl)amino]phenyl] carbamate
CID 175058324
2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide
CID 53316479
N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
CID 3854038
1-diethoxyphosphoryl-N-phenylmethanethioamide
CID 14508989
ethyl 3-anilino-3-oxopropanoate
CID 3016808
2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide
CID 141034258
[4-[(2-diethoxyphosphorylacetyl)amino]phenyl] 4-(dihydroxyamino)oxybutanoate
CID 89141094
2-(ethoxyamino)-N-phenylacetamide
CID 60702684

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N-phenylacetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-phenylacetamide (CID 12520780) is 2-diethoxyphosphoryl-N-phenylacetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-phenylacetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-phenylacetamide is CCOP(=O)(CC(=O)Nc1ccccc1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-phenylacetamide?
The InChIKey is XLSQHDWSRFSZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO4P/c1-3-16-18(15,17-4-2)10-12(14)13-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,13,14).
What are the key properties of 2-diethoxyphosphoryl-N-phenylacetamide?
2-diethoxyphosphoryl-N-phenylacetamide has a molecular weight of 271.25 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-phenylacetamide is sourced from PubChem (CID 12520780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).