Ethyl 4-(2-methoxyethylcarbamoylamino)benzoate

C13H18N2O4 — CID 47146237

IUPACethyl 4-(2-methoxyethylcarbamoylamino)benzoate
SMILESCCOC(=O)C1=CC=C(C=C1)NC(=O)NCCOC
InChIInChI=1S/C13H18N2O4/c1-3-19-12(16)10-4-6-11(7-5-10)15-13(17)14-8-9-18-2/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyAETPUAPRRDZHAF-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.00
Rot. Bonds7

About Ethyl 4-(2-methoxyethylcarbamoylamino)benzoate

Ethyl 4-(2-methoxyethylcarbamoylamino)benzoate (PubChem CID 47146237) has the molecular formula C13H18N2O4 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethylcarbamoylamino)benzoate.

Molecular Properties

Compound NameEthyl 4-(2-methoxyethylcarbamoylamino)benzoate
PubChem CID47146237
Molecular FormulaC13H18N2O4
Molecular Weight266.29 g/mol
Exact Mass266.13
IUPAC Nameethyl 4-(2-methoxyethylcarbamoylamino)benzoate
SMILESCCOC(=O)C1=CC=C(C=C1)NC(=O)NCCOC
InChIInChI=1S/C13H18N2O4/c1-3-19-12(16)10-4-6-11(7-5-10)15-13(17)14-8-9-18-2/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyAETPUAPRRDZHAF-UHFFFAOYSA-N
XLogP1.00
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity288

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Ethyl 4-(2-methoxyethylcarbamoylamino)benzoate?
The IUPAC name of Ethyl 4-(2-methoxyethylcarbamoylamino)benzoate (CID 47146237) is ethyl 4-(2-methoxyethylcarbamoylamino)benzoate.
What is the SMILES notation for Ethyl 4-(2-methoxyethylcarbamoylamino)benzoate?
The canonical SMILES for Ethyl 4-(2-methoxyethylcarbamoylamino)benzoate is CCOC(=O)C1=CC=C(C=C1)NC(=O)NCCOC.
What is the InChIKey of Ethyl 4-(2-methoxyethylcarbamoylamino)benzoate?
The InChIKey is AETPUAPRRDZHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-19-12(16)10-4-6-11(7-5-10)15-13(17)14-8-9-18-2/h4-7H,3,8-9H2,1-2H3,(H2,14,15,17).
What are the key properties of Ethyl 4-(2-methoxyethylcarbamoylamino)benzoate?
Ethyl 4-(2-methoxyethylcarbamoylamino)benzoate has a molecular weight of 266.29 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 4-(2-methoxyethylcarbamoylamino)benzoate is sourced from PubChem (CID 47146237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).