ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate

C15H23N2O6P — CID 4210354

IUPACethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate
SMILESCCOC(=O)C(NC(=O)Nc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C15H23N2O6P/c1-4-21-14(18)13(24(20,22-5-2)23-6-3)17-15(19)16-12-10-8-7-9-11-12/h7-11,13H,4-6H2,1-3H3,(H2,16,17,19)
InChIKeyABTVFTSSKKBEGK-UHFFFAOYSA-N
MW358.33 g/mol
LogP2.96
Rot. Bonds9

About ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate

ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate (PubChem CID 4210354) has the molecular formula C15H23N2O6P and a molecular weight of 358.33 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate
PubChem CID4210354
Molecular FormulaC15H23N2O6P
Molecular Weight358.33 g/mol
Exact Mass358.13
IUPAC Nameethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate
SMILESCCOC(=O)C(NC(=O)Nc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C15H23N2O6P/c1-4-21-14(18)13(24(20,22-5-2)23-6-3)17-15(19)16-12-10-8-7-9-11-12/h7-11,13H,4-6H2,1-3H3,(H2,16,17,19)
InChIKeyABTVFTSSKKBEGK-UHFFFAOYSA-N
XLogP2.96
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 11132476
ethyl (2S)-3-amino-2-(phenylcarbamoylamino)propanoate
CID 59103872
1-(3-chlorophenyl)-3-[diethoxyphosphoryl(phenyl)methyl]urea
CID 4037249
1-(diethoxyphosphorylmethyl)-3-phenylurea
CID 2301679
ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate
CID 61381164
1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea
CID 10470871
methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate
CID 2133146
2-cyclopropyl-2-diethoxyphosphoryl-N-phenylacetamide
CID 155931459
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
1-[(R)-diethoxyphosphoryl(phenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 2319972
1-butoxy-3-phenylurea
CID 4061845
2-diethoxyphosphoryl-N-phenylacetamide
CID 12520780

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate (CID 4210354) is ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate is CCOC(=O)C(NC(=O)Nc1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate?
The InChIKey is ABTVFTSSKKBEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2O6P/c1-4-21-14(18)13(24(20,22-5-2)23-6-3)17-15(19)16-12-10-8-7-9-11-12/h7-11,13H,4-6H2,1-3H3,(H2,16,17,19).
What are the key properties of ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate?
ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate has a molecular weight of 358.33 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate is sourced from PubChem (CID 4210354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).