2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C22H32N2O3 — CID 126463646

About 2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 126463646) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
• PubChem CID: 126463646
• Molecular Formula: C22H32N2O3
• Molecular Weight: 372.51 g/mol
• Exact Mass: 372.24
• IUPAC Name: 2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
• SMILES: COCC(=O)NCC1CCC2(CCN(C/C(C)=C/c3ccccc3)CC2)O1
• InChI: InChI=1S/C22H32N2O3/c1-18(14-19-6-4-3-5-7-19)16-24-12-10-22(11-13-24)9-8-20(27-22)15-23-21(25)17-26-2/h3-7,14,20H,8-13,15-17H2,1-2H3,(H,23,25)/b18-14+
• InChIKey: GTYASXFGFYLNQU-NBVRZTHBSA-N
• XLogP: 2.87
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.51
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?

The IUPAC name of 2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 126463646) is 2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

What is the SMILES notation for 2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?

The canonical SMILES for 2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is COCC(=O)NCC1CCC2(CCN(C/C(C)=C/c3ccccc3)CC2)O1.

What is the InChIKey of 2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?

The InChIKey is GTYASXFGFYLNQU-NBVRZTHBSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-18(14-19-6-4-3-5-7-19)16-24-12-10-22(11-13-24)9-8-20(27-22)15-23-21(25)17-26-2/h3-7,14,20H,8-13,15-17H2,1-2H3,(H,23,25)/b18-14+.

What are the key properties of 2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?

2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 372.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 126463646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).