2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide

C14H22NO4P — CID 56955836

IUPAC2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide
SMILESCCOP(=O)(CC(=O)NC(C)c1ccccc1)OCC
InChIInChI=1S/C14H22NO4P/c1-4-18-20(17,19-5-2)11-14(16)15-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,16)
InChIKeyUPAKRWBXCJUTFZ-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.13
Rot. Bonds8

About 2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide

2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide (PubChem CID 56955836) has the molecular formula C14H22NO4P and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide
PubChem CID56955836
Molecular FormulaC14H22NO4P
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC Name2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide
SMILESCCOP(=O)(CC(=O)NC(C)c1ccccc1)OCC
InChIInChI=1S/C14H22NO4P/c1-4-18-20(17,19-5-2)11-14(16)15-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,16)
InChIKeyUPAKRWBXCJUTFZ-UHFFFAOYSA-N
XLogP3.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.13
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

2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 58701778
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
CID 47187222
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
CID 126003498
2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 112992317
3-amino-N-(1-phenylethyl)propanamide
CID 16784228

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide (CID 56955836) is 2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide is CCOP(=O)(CC(=O)NC(C)c1ccccc1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide?
The InChIKey is UPAKRWBXCJUTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO4P/c1-4-18-20(17,19-5-2)11-14(16)15-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,16).
What are the key properties of 2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide?
2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide has a molecular weight of 299.31 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 56955836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).