N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C28H34N4O3 — CID 6020296

About N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 6020296) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 6020296
• Molecular Formula: C28H34N4O3
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.26
• IUPAC Name: N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• SMILES: CCN(CC)C(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)/C=C/c3ccccc3)CC2)C1=O
• InChI: InChI=1S/C28H34N4O3/c1-3-29(4-2)26(34)21-31-22-32(24-13-9-6-10-14-24)28(27(31)35)17-19-30(20-18-28)25(33)16-15-23-11-7-5-8-12-23/h5-16H,3-4,17-22H2,1-2H3/b16-15+
• InChIKey: XCJUFHBZDKVNRX-FOCLMDBBSA-N
• XLogP: 3.24
• TPSA: 64.17 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 6020296) is N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CCN(CC)C(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)/C=C/c3ccccc3)CC2)C1=O.

What is the InChIKey of N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is XCJUFHBZDKVNRX-FOCLMDBBSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-3-29(4-2)26(34)21-31-22-32(24-13-9-6-10-14-24)28(27(31)35)17-19-30(20-18-28)25(33)16-15-23-11-7-5-8-12-23/h5-16H,3-4,17-22H2,1-2H3/b16-15+.

What are the key properties of N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 474.61 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 6020296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).