diethyl 2-(4-methoxyanilino)propanedioate

C14H19NO5 — CID 11832849

IUPACdiethyl 2-(4-methoxyanilino)propanedioate
SMILESCCOC(=O)C(Nc1ccc(OC)cc1)C(=O)OCC
InChIInChI=1S/C14H19NO5/c1-4-19-13(16)12(14(17)20-5-2)15-10-6-8-11(18-3)9-7-10/h6-9,12,15H,4-5H2,1-3H3
InChIKeyAJMGALJXSBJMTC-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.60
Rot. Bonds7

About diethyl 2-(4-methoxyanilino)propanedioate

diethyl 2-(4-methoxyanilino)propanedioate (PubChem CID 11832849) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is diethyl 2-(4-methoxyanilino)propanedioate.

Molecular Properties

Compound Namediethyl 2-(4-methoxyanilino)propanedioate
PubChem CID11832849
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namediethyl 2-(4-methoxyanilino)propanedioate
SMILESCCOC(=O)C(Nc1ccc(OC)cc1)C(=O)OCC
InChIInChI=1S/C14H19NO5/c1-4-19-13(16)12(14(17)20-5-2)15-10-6-8-11(18-3)9-7-10/h6-9,12,15H,4-5H2,1-3H3
InChIKeyAJMGALJXSBJMTC-UHFFFAOYSA-N
XLogP1.60
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze diethyl 2-(4-methoxyanilino)propanedioate with MolForge

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

Launch Full Analysis

Related Compounds

CID 68865
CID 68865
CID 68937
CID 68937
CID 172818
CID 172818
CID 11807040
CID 11807040
CID 2733017
CID 2733017
CID 6917278
CID 6917278
CID 3086272
CID 3086272
CID 4962374
CID 4962374
CID 7275229
CID 7275229
CID 108082
CID 108082
CID 5389782
CID 5389782
CID 16459611
CID 16459611

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(4-methoxyanilino)propanedioate?
The IUPAC name of diethyl 2-(4-methoxyanilino)propanedioate (CID 11832849) is diethyl 2-(4-methoxyanilino)propanedioate.
What is the SMILES notation for diethyl 2-(4-methoxyanilino)propanedioate?
The canonical SMILES for diethyl 2-(4-methoxyanilino)propanedioate is CCOC(=O)C(Nc1ccc(OC)cc1)C(=O)OCC.
What is the InChIKey of diethyl 2-(4-methoxyanilino)propanedioate?
The InChIKey is AJMGALJXSBJMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-19-13(16)12(14(17)20-5-2)15-10-6-8-11(18-3)9-7-10/h6-9,12,15H,4-5H2,1-3H3.
What are the key properties of diethyl 2-(4-methoxyanilino)propanedioate?
diethyl 2-(4-methoxyanilino)propanedioate has a molecular weight of 281.31 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(4-methoxyanilino)propanedioate is sourced from PubChem (CID 11832849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).