RNNJRKTWDGVQPT-UHFFFAOYSA-N

C₂₄H₂₈N₂O₄ — CID 10573509

About RNNJRKTWDGVQPT-UHFFFAOYSA-N

RNNJRKTWDGVQPT-UHFFFAOYSA-N (PubChem CID 10573509) has the molecular formula C₂₄H₂₈N₂O₄ and a molecular weight of 408.50 g/mol. Its IUPAC name is ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-6-yl]oxybutanoate.

Molecular Properties

• Compound Name: RNNJRKTWDGVQPT-UHFFFAOYSA-N
• PubChem CID: 10573509
• Molecular Formula: C₂₄H₂₈N₂O₄
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.20
• IUPAC Name: ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-6-yl]oxybutanoate
• SMILES: CCOC(=O)CCCOc1ccc2c(CC(N)=O)c(C)n(Cc3ccccc3)c2c1
• InChI: InChI=1S/C24H28N2O4/c1-3-29-24(28)10-7-13-30-19-11-12-20-21(15-23(25)27)17(2)26(22(20)14-19)16-18-8-5-4-6-9-18/h4-6,8-9,11-12,14H,3,7,10,13,15-16H2,1-2H3,(H2,25,27)
• InChIKey: RNNJRKTWDGVQPT-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 83.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of RNNJRKTWDGVQPT-UHFFFAOYSA-N?

The IUPAC name of RNNJRKTWDGVQPT-UHFFFAOYSA-N (CID 10573509) is ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-6-yl]oxybutanoate.

What is the SMILES notation for RNNJRKTWDGVQPT-UHFFFAOYSA-N?

The canonical SMILES for RNNJRKTWDGVQPT-UHFFFAOYSA-N is CCOC(=O)CCCOc1ccc2c(CC(N)=O)c(C)n(Cc3ccccc3)c2c1.

What is the InChIKey of RNNJRKTWDGVQPT-UHFFFAOYSA-N?

The InChIKey is RNNJRKTWDGVQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-3-29-24(28)10-7-13-30-19-11-12-20-21(15-23(25)27)17(2)26(22(20)14-19)16-18-8-5-4-6-9-18/h4-6,8-9,11-12,14H,3,7,10,13,15-16H2,1-2H3,(H2,25,27).

What are the key properties of RNNJRKTWDGVQPT-UHFFFAOYSA-N?

RNNJRKTWDGVQPT-UHFFFAOYSA-N has a molecular weight of 408.50 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for RNNJRKTWDGVQPT-UHFFFAOYSA-N is sourced from PubChem (CID 10573509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10573509 — identifiers, structure, computed properties (public domain)

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