(2-methoxyphenyl) 3-(N-ethylanilino)propanoate

C18H21NO3 — CID 54464490

IUPAC(2-methoxyphenyl) 3-(N-ethylanilino)propanoate
SMILESCCN(CCC(=O)Oc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-3-19(15-9-5-4-6-10-15)14-13-18(20)22-17-12-8-7-11-16(17)21-2/h4-12H,3,13-14H2,1-2H3
InChIKeyXDXBJMSXFLFRIJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.52
Rot. Bonds7

About (2-methoxyphenyl) 3-(N-ethylanilino)propanoate

(2-methoxyphenyl) 3-(N-ethylanilino)propanoate (PubChem CID 54464490) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2-methoxyphenyl) 3-(N-ethylanilino)propanoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 3-(N-ethylanilino)propanoate
PubChem CID54464490
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(2-methoxyphenyl) 3-(N-ethylanilino)propanoate
SMILESCCN(CCC(=O)Oc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-3-19(15-9-5-4-6-10-15)14-13-18(20)22-17-12-8-7-11-16(17)21-2/h4-12H,3,13-14H2,1-2H3
InChIKeyXDXBJMSXFLFRIJ-UHFFFAOYSA-N
XLogP3.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 3-(N-ethylanilino)propanoate?
The IUPAC name of (2-methoxyphenyl) 3-(N-ethylanilino)propanoate (CID 54464490) is (2-methoxyphenyl) 3-(N-ethylanilino)propanoate.
What is the SMILES notation for (2-methoxyphenyl) 3-(N-ethylanilino)propanoate?
The canonical SMILES for (2-methoxyphenyl) 3-(N-ethylanilino)propanoate is CCN(CCC(=O)Oc1ccccc1OC)c1ccccc1.
What is the InChIKey of (2-methoxyphenyl) 3-(N-ethylanilino)propanoate?
The InChIKey is XDXBJMSXFLFRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-19(15-9-5-4-6-10-15)14-13-18(20)22-17-12-8-7-11-16(17)21-2/h4-12H,3,13-14H2,1-2H3.
What are the key properties of (2-methoxyphenyl) 3-(N-ethylanilino)propanoate?
(2-methoxyphenyl) 3-(N-ethylanilino)propanoate has a molecular weight of 299.37 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 3-(N-ethylanilino)propanoate is sourced from PubChem (CID 54464490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).