2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane

C19H28N2O2 — CID 120907399

About 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane

2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120907399) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane
• PubChem CID: 120907399
• Molecular Formula: C19H28N2O2
• Molecular Weight: 316.44 g/mol
• Exact Mass: 316.22
• IUPAC Name: 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane
• SMILES: COc1cc2c(c(CN3CCC4(CCNCC4)C3)c1)OC(C)C2
• InChI: InChI=1S/C19H28N2O2/c1-14-9-15-10-17(22-2)11-16(18(15)23-14)12-21-8-5-19(13-21)3-6-20-7-4-19/h10-11,14,20H,3-9,12-13H2,1-2H3
• InChIKey: MFAPIACHISODNN-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 33.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.44
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane?

The IUPAC name of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 120907399) is 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane.

What is the SMILES notation for 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane?

The canonical SMILES for 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane is COc1cc2c(c(CN3CCC4(CCNCC4)C3)c1)OC(C)C2.

What is the InChIKey of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane?

The InChIKey is MFAPIACHISODNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-9-15-10-17(22-2)11-16(18(15)23-14)12-21-8-5-19(13-21)3-6-20-7-4-19/h10-11,14,20H,3-9,12-13H2,1-2H3.

What are the key properties of 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane?

2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 316.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120907399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).