methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate

C21H27N3O4 — CID 91940564

About methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate

methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate (PubChem CID 91940564) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
• PubChem CID: 91940564
• Molecular Formula: C21H27N3O4
• Molecular Weight: 385.46 g/mol
• Exact Mass: 385.20
• IUPAC Name: methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
• SMILES: COC(=O)CNC(=O)N1CCC2(CC1)CC(=O)N(CC=Cc1ccccc1)C2
• InChI: InChI=1S/C21H27N3O4/c1-28-19(26)15-22-20(27)23-12-9-21(10-13-23)14-18(25)24(16-21)11-5-8-17-6-3-2-4-7-17/h2-8H,9-16H2,1H3,(H,22,27)
• InChIKey: NCEIHAMOIRIEBT-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.46
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate?

The IUPAC name of methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate (CID 91940564) is methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate.

What is the SMILES notation for methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate?

The canonical SMILES for methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate is COC(=O)CNC(=O)N1CCC2(CC1)CC(=O)N(CC=Cc1ccccc1)C2.

What is the InChIKey of methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate?

The InChIKey is NCEIHAMOIRIEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-28-19(26)15-22-20(27)23-12-9-21(10-13-23)14-18(25)24(16-21)11-5-8-17-6-3-2-4-7-17/h2-8H,9-16H2,1H3,(H,22,27).

What are the key properties of methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate?

methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate has a molecular weight of 385.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate is sourced from PubChem (CID 91940564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).