ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate

C13H21N2O5P — CID 10567392

IUPACethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate
SMILESCCOC(=O)CNP(=O)(Nc1ccc(OC)cc1)OCC
InChIInChI=1S/C13H21N2O5P/c1-4-19-13(16)10-14-21(17,20-5-2)15-11-6-8-12(18-3)9-7-11/h6-9H,4-5,10H2,1-3H3,(H2,14,15,17)
InChIKeyLVZVERWRANGKBT-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.40
Rot. Bonds9

About ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate

ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate (PubChem CID 10567392) has the molecular formula C13H21N2O5P and a molecular weight of 316.29 g/mol. Its IUPAC name is ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate
PubChem CID10567392
Molecular FormulaC13H21N2O5P
Molecular Weight316.29 g/mol
Exact Mass316.12
IUPAC Nameethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate
SMILESCCOC(=O)CNP(=O)(Nc1ccc(OC)cc1)OCC
InChIInChI=1S/C13H21N2O5P/c1-4-19-13(16)10-14-21(17,20-5-2)15-11-6-8-12(18-3)9-7-11/h6-9H,4-5,10H2,1-3H3,(H2,14,15,17)
InChIKeyLVZVERWRANGKBT-UHFFFAOYSA-N
XLogP2.40
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate?
The IUPAC name of ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate (CID 10567392) is ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate.
What is the SMILES notation for ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate?
The canonical SMILES for ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate is CCOC(=O)CNP(=O)(Nc1ccc(OC)cc1)OCC.
What is the InChIKey of ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate?
The InChIKey is LVZVERWRANGKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2O5P/c1-4-19-13(16)10-14-21(17,20-5-2)15-11-6-8-12(18-3)9-7-11/h6-9H,4-5,10H2,1-3H3,(H2,14,15,17).
What are the key properties of ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate?
ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate has a molecular weight of 316.29 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[ethoxy-(4-methoxyanilino)phosphoryl]amino]acetate is sourced from PubChem (CID 10567392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).