2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate

C24H31N3O4 — CID 70844155

About 2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate

2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 70844155) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 70844155
• Molecular Formula: C24H31N3O4
• Molecular Weight: 425.53 g/mol
• Exact Mass: 425.23
• IUPAC Name: 2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
• SMILES: CCn1c(-c2ccc(NC(=O)OCC(C)C)cc2)c(N)c2ccc(OCCOC)cc21
• InChI: InChI=1S/C24H31N3O4/c1-5-27-21-14-19(30-13-12-29-4)10-11-20(21)22(25)23(27)17-6-8-18(9-7-17)26-24(28)31-15-16(2)3/h6-11,14,16H,5,12-13,15,25H2,1-4H3,(H,26,28)
• InChIKey: JWQPFQNPWIWXKI-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.53
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
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-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?

The IUPAC name of 2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate (CID 70844155) is 2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for 2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?

The canonical SMILES for 2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate is CCn1c(-c2ccc(NC(=O)OCC(C)C)cc2)c(N)c2ccc(OCCOC)cc21.

What is the InChIKey of 2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?

The InChIKey is JWQPFQNPWIWXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-5-27-21-14-19(30-13-12-29-4)10-11-20(21)22(25)23(27)17-6-8-18(9-7-17)26-24(28)31-15-16(2)3/h6-11,14,16H,5,12-13,15,25H2,1-4H3,(H,26,28).

What are the key properties of 2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?

2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 425.53 g/mol, XLogP of 5.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 70844155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).