methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate

C24H25N3O4 — CID 59425022

About methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate

methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 59425022) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 59425022
• Molecular Formula: C24H25N3O4
• Molecular Weight: 419.48 g/mol
• Exact Mass: 419.18
• IUPAC Name: methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
• SMILES: COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C24H25N3O4/c1-29-12-13-31-19-10-11-20-21(15-25)23(27(22(20)14-19)18-4-3-5-18)16-6-8-17(9-7-16)26-24(28)30-2/h6-11,14,18H,3-5,12-13H2,1-2H3,(H,26,28)
• InChIKey: GYOJZEBUALIHQP-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 85.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.48
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?

The IUPAC name of methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate (CID 59425022) is methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?

The canonical SMILES for methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate is COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC)cc3)n(C3CCC3)c2c1.

What is the InChIKey of methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?

The InChIKey is GYOJZEBUALIHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-29-12-13-31-19-10-11-20-21(15-25)23(27(22(20)14-19)18-4-3-5-18)16-6-8-17(9-7-16)26-24(28)30-2/h6-11,14,18H,3-5,12-13H2,1-2H3,(H,26,28).

What are the key properties of methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?

methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 419.48 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).