2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate

C23H25N3O4 — CID 58693880

About 2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate

2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate (PubChem CID 58693880) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: 2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
• PubChem CID: 58693880
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: 2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
• SMILES: COCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C(C)C)c1
• InChI: InChI=1S/C23H25N3O4/c1-15(2)26-21-13-18(29-4)8-9-19(21)20(14-24)22(26)16-6-5-7-17(12-16)25-23(27)30-11-10-28-3/h5-9,12-13,15H,10-11H2,1-4H3,(H,25,27)
• InChIKey: WWUXEKMDHHSYJC-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 85.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	4.96
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 2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate?

The IUPAC name of 2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate (CID 58693880) is 2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate.

What is the SMILES notation for 2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate?

The canonical SMILES for 2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate is COCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C(C)C)c1.

What is the InChIKey of 2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate?

The InChIKey is WWUXEKMDHHSYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(2)26-21-13-18(29-4)8-9-19(21)20(14-24)22(26)16-6-5-7-17(12-16)25-23(27)30-11-10-28-3/h5-9,12-13,15H,10-11H2,1-4H3,(H,25,27).

What are the key properties of 2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate?

2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate has a molecular weight of 407.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 58693880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).