2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C23H32N2O3 — CID 9391384

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1ccc2c(CC(=O)NCC3(N4CCOCC4)CCCCC3)coc2c1C
InChIInChI=1S/C23H32N2O3/c1-17-6-7-20-19(15-28-22(20)18(17)2)14-21(26)24-16-23(8-4-3-5-9-23)25-10-12-27-13-11-25/h6-7,15H,3-5,8-14,16H2,1-2H3,(H,24,26)
InChIKeyATFHCMCPUGIAJH-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.74
Rot. Bonds5

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 9391384) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID9391384
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1ccc2c(CC(=O)NCC3(N4CCOCC4)CCCCC3)coc2c1C
InChIInChI=1S/C23H32N2O3/c1-17-6-7-20-19(15-28-22(20)18(17)2)14-21(26)24-16-23(8-4-3-5-9-23)25-10-12-27-13-11-25/h6-7,15H,3-5,8-14,16H2,1-2H3,(H,24,26)
InChIKeyATFHCMCPUGIAJH-UHFFFAOYSA-N
XLogP3.74
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.74
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-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 9391384) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is Cc1ccc2c(CC(=O)NCC3(N4CCOCC4)CCCCC3)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is ATFHCMCPUGIAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-17-6-7-20-19(15-28-22(20)18(17)2)14-21(26)24-16-23(8-4-3-5-9-23)25-10-12-27-13-11-25/h6-7,15H,3-5,8-14,16H2,1-2H3,(H,24,26).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 3.74, 5 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-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 9391384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).