N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide

C22H31N3O2 — CID 72911472

About N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide

N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide (PubChem CID 72911472) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

• Compound Name: N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide
• PubChem CID: 72911472
• Molecular Formula: C22H31N3O2
• Molecular Weight: 369.51 g/mol
• Exact Mass: 369.24
• IUPAC Name: N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide
• SMILES: CCN(C)C(=O)CN1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2
• InChI: InChI=1S/C22H31N3O2/c1-3-23(2)21(27)17-24-14-11-22(12-15-24)16-20(26)25(18-22)13-7-10-19-8-5-4-6-9-19/h4-10H,3,11-18H2,1-2H3/b10-7+
• InChIKey: UEGUBEGYAUUKLA-JXMROGBWSA-N
• XLogP: 2.49
• TPSA: 43.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide?

The IUPAC name of N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide (CID 72911472) is N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide.

What is the SMILES notation for N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide?

The canonical SMILES for N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide is CCN(C)C(=O)CN1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2.

What is the InChIKey of N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide?

The InChIKey is UEGUBEGYAUUKLA-JXMROGBWSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-23(2)21(27)17-24-14-11-22(12-15-24)16-20(26)25(18-22)13-7-10-19-8-5-4-6-9-19/h4-10H,3,11-18H2,1-2H3/b10-7+.

What are the key properties of N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide?

N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 369.51 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 72911472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).