2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide

C21H26N2O4 — CID 112798600

About 2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide

2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide (PubChem CID 112798600) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide.

Molecular Properties

• Compound Name: 2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
• PubChem CID: 112798600
• Molecular Formula: C21H26N2O4
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.19
• IUPAC Name: 2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
• SMILES: Cc1ccc(C(C)NCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)o1
• InChI: InChI=1S/C21H26N2O4/c1-14-6-8-17(25-14)15(2)22-13-20(24)23-16-7-9-18-19(12-16)27-21(26-18)10-4-3-5-11-21/h6-9,12,15,22H,3-5,10-11,13H2,1-2H3,(H,23,24)
• InChIKey: GUDAZZIBINMRJR-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 72.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?

The IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide (CID 112798600) is 2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide.

What is the SMILES notation for 2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?

The canonical SMILES for 2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide is Cc1ccc(C(C)NCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)o1.

What is the InChIKey of 2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?

The InChIKey is GUDAZZIBINMRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-6-8-17(25-14)15(2)22-13-20(24)23-16-7-9-18-19(12-16)27-21(26-18)10-4-3-5-11-21/h6-9,12,15,22H,3-5,10-11,13H2,1-2H3,(H,23,24).

What are the key properties of 2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?

2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide has a molecular weight of 370.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(5-methylfuran-2-yl)ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide is sourced from PubChem (CID 112798600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).