[3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate

C23H26FN3O4 — CID 25125659

About [3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate

[3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate (PubChem CID 25125659) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is [3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate.

Molecular Properties

• Compound Name: [3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate
• PubChem CID: 25125659
• Molecular Formula: C23H26FN3O4
• Molecular Weight: 427.48 g/mol
• Exact Mass: 427.19
• IUPAC Name: [3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate
• SMILES: Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)COc1cccc(OC(=O)N(C)C)c1
• InChI: InChI=1S/C23H26FN3O4/c1-14-8-9-19(24)22-21(14)18(15(2)26-22)10-11-25-20(28)13-30-16-6-5-7-17(12-16)31-23(29)27(3)4/h5-9,12,26H,10-11,13H2,1-4H3,(H,25,28)
• InChIKey: UFUPOPWIQHZIDD-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 83.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.48
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate?

The IUPAC name of [3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate (CID 25125659) is [3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate.

What is the SMILES notation for [3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate?

The canonical SMILES for [3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)COc1cccc(OC(=O)N(C)C)c1.

What is the InChIKey of [3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate?

The InChIKey is UFUPOPWIQHZIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-14-8-9-19(24)22-21(14)18(15(2)26-22)10-11-25-20(28)13-30-16-6-5-7-17(12-16)31-23(29)27(3)4/h5-9,12,26H,10-11,13H2,1-4H3,(H,25,28).

What are the key properties of [3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate?

[3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate has a molecular weight of 427.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 25125659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).