2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide

C23H24N2O4 — CID 55797417

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCc1ccc2c(CC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)coc2c1C
InChIInChI=1S/C23H24N2O4/c1-15-6-7-20-18(14-29-22(20)16(15)2)13-21(26)24-19-5-3-4-17(12-19)23(27)25-8-10-28-11-9-25/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,26)
InChIKeyVMAONYVIZHOJNG-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.70
Rot. Bonds4

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 55797417) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID55797417
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCc1ccc2c(CC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)coc2c1C
InChIInChI=1S/C23H24N2O4/c1-15-6-7-20-18(14-29-22(20)16(15)2)13-21(26)24-19-5-3-4-17(12-19)23(27)25-8-10-28-11-9-25/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,26)
InChIKeyVMAONYVIZHOJNG-UHFFFAOYSA-N
XLogP3.70
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide (CID 55797417) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide is Cc1ccc2c(CC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is VMAONYVIZHOJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-6-7-20-18(14-29-22(20)16(15)2)13-21(26)24-19-5-3-4-17(12-19)23(27)25-8-10-28-11-9-25/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 55797417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).