propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate

C21H28N2O3 — CID 72918682

About propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate

propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 72918682) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 72918682
• Molecular Formula: C21H28N2O3
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.21
• IUPAC Name: propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: CC(C)OC(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2
• InChI: InChI=1S/C21H28N2O3/c1-17(2)26-20(25)22-13-10-21(11-14-22)15-19(24)23(16-21)12-6-9-18-7-4-3-5-8-18/h3-9,17H,10-16H2,1-2H3/b9-6+
• InChIKey: NACKJUGBJBUQKP-RMKNXTFCSA-N
• XLogP: 3.56
• TPSA: 49.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 72918682) is propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)OC(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2.

What is the InChIKey of propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is NACKJUGBJBUQKP-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-17(2)26-20(25)22-13-10-21(11-14-22)15-19(24)23(16-21)12-6-9-18-7-4-3-5-8-18/h3-9,17H,10-16H2,1-2H3/b9-6+.

What are the key properties of propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate?

propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 72918682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).