3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

C20H22N2O4 — CID 4957459

IUPAC3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22N2O4/c1-2-26-16-7-5-6-15(14-16)19(23)21-18-9-4-3-8-17(18)20(24)22-10-12-25-13-11-22/h3-9,14H,2,10-13H2,1H3,(H,21,23)
InChIKeyHSGDLYALNZIXEV-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.81
Rot. Bonds5

About 3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 4957459) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID4957459
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22N2O4/c1-2-26-16-7-5-6-15(14-16)19(23)21-18-9-4-3-8-17(18)20(24)22-10-12-25-13-11-22/h3-9,14H,2,10-13H2,1H3,(H,21,23)
InChIKeyHSGDLYALNZIXEV-UHFFFAOYSA-N
XLogP2.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (CID 4957459) is 3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is CCOc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1.
What is the InChIKey of 3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is HSGDLYALNZIXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-26-16-7-5-6-15(14-16)19(23)21-18-9-4-3-8-17(18)20(24)22-10-12-25-13-11-22/h3-9,14H,2,10-13H2,1H3,(H,21,23).
What are the key properties of 3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 4957459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).