N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide

C26H30N2O4 — CID 23846572

About N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide

N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide (PubChem CID 23846572) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide
• PubChem CID: 23846572
• Molecular Formula: C26H30N2O4
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.22
• IUPAC Name: N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide
• SMILES: C=CCN1C(=O)[C@]2(O[C@H](CC(=O)N(CCO)Cc3ccccc3)C[C@@H]2C)c2ccccc21
• InChI: InChI=1S/C26H30N2O4/c1-3-13-28-23-12-8-7-11-22(23)26(25(28)31)19(2)16-21(32-26)17-24(30)27(14-15-29)18-20-9-5-4-6-10-20/h3-12,19,21,29H,1,13-18H2,2H3/t19-,21-,26+/m0/s1
• InChIKey: GOLDWSUCPMGFHA-HEKZAOSPSA-N
• XLogP: 3.25
• TPSA: 70.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide?

The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide (CID 23846572) is N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide.

What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide?

The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide is C=CCN1C(=O)[C@]2(O[C@H](CC(=O)N(CCO)Cc3ccccc3)C[C@@H]2C)c2ccccc21.

What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide?

The InChIKey is GOLDWSUCPMGFHA-HEKZAOSPSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-3-13-28-23-12-8-7-11-22(23)26(25(28)31)19(2)16-21(32-26)17-24(30)27(14-15-29)18-20-9-5-4-6-10-20/h3-12,19,21,29H,1,13-18H2,2H3/t19-,21-,26+/m0/s1.

What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide?

N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(2-hydroxyethyl)-2-[(2'S,3R,4'S)-4'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,5'-oxolane]-2'-yl]acetamide is sourced from PubChem (CID 23846572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).