2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide

C31H41N3O3 — CID 72618192

About 2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide

2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide (PubChem CID 72618192) has the molecular formula C31H41N3O3 and a molecular weight of 503.69 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
• PubChem CID: 72618192
• Molecular Formula: C31H41N3O3
• Molecular Weight: 503.69 g/mol
• Exact Mass: 503.31
• IUPAC Name: 2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
• SMILES: CCOc1ccc(CN2CC3(CCN(CCC(NC(=O)CC4CC4)c4ccccc4)CC3)CC2=O)cc1
• InChI: InChI=1S/C31H41N3O3/c1-2-37-27-12-10-25(11-13-27)22-34-23-31(21-30(34)36)15-18-33(19-16-31)17-14-28(26-6-4-3-5-7-26)32-29(35)20-24-8-9-24/h3-7,10-13,24,28H,2,8-9,14-23H2,1H3,(H,32,35)
• InChIKey: DUROTTSWUYQTFK-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.69
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?

The IUPAC name of 2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide (CID 72618192) is 2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide.

What is the SMILES notation for 2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?

The canonical SMILES for 2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide is CCOc1ccc(CN2CC3(CCN(CCC(NC(=O)CC4CC4)c4ccccc4)CC3)CC2=O)cc1.

What is the InChIKey of 2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?

The InChIKey is DUROTTSWUYQTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O3/c1-2-37-27-12-10-25(11-13-27)22-34-23-31(21-30(34)36)15-18-33(19-16-31)17-14-28(26-6-4-3-5-7-26)32-29(35)20-24-8-9-24/h3-7,10-13,24,28H,2,8-9,14-23H2,1H3,(H,32,35).

What are the key properties of 2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?

2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide has a molecular weight of 503.69 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[3-[2-[(4-ethoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide is sourced from PubChem (CID 72618192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).