2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide

C21H22N2O4 — CID 8750798

IUPAC2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C21H22N2O4/c1-3-10-22-21(25)17-6-4-5-7-18(17)23-20(24)11-14-13-27-19-12-15(26-2)8-9-16(14)19/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXUQLOZUAKZSHJK-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.76
Rot. Bonds7

About 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide

2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide (PubChem CID 8750798) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide
PubChem CID8750798
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C21H22N2O4/c1-3-10-22-21(25)17-6-4-5-7-18(17)23-20(24)11-14-13-27-19-12-15(26-2)8-9-16(14)19/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXUQLOZUAKZSHJK-UHFFFAOYSA-N
XLogP3.76
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide (CID 8750798) is 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)Cc1coc2cc(OC)ccc12.
What is the InChIKey of 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide?
The InChIKey is XUQLOZUAKZSHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-10-22-21(25)17-6-4-5-7-18(17)23-20(24)11-14-13-27-19-12-15(26-2)8-9-16(14)19/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide?
2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide has a molecular weight of 366.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 8750798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).