15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid

C24H24F3N3O5 — CID 71284881

About 15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid

15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid (PubChem CID 71284881) has the molecular formula C24H24F3N3O5 and a molecular weight of 491.47 g/mol. Its IUPAC name is 15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid.

Molecular Properties

• Compound Name: 15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
• PubChem CID: 71284881
• Molecular Formula: C24H24F3N3O5
• Molecular Weight: 491.47 g/mol
• Exact Mass: 491.17
• IUPAC Name: 15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
• SMILES: CCNCCc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1OC(=O)C(F)(F)F
• InChI: InChI=1S/C24H24F3N3O5/c1-3-28-8-7-14-9-13-10-16-12(11-17(13)30(14)2)5-4-6-15-19(16)29-21(31)18(22(32)33)20(15)35-23(34)24(25,26)27/h9-11,28H,3-8H2,1-2H3,(H,29,31)(H,32,33)
• InChIKey: CHZHZFCNGBXHGR-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 113.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.47
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
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 15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?

The IUPAC name of 15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid (CID 71284881) is 15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid.

What is the SMILES notation for 15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?

The canonical SMILES for 15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid is CCNCCc1cc2cc3c(cc2n1C)CCCc1c-3[nH]c(=O)c(C(=O)O)c1OC(=O)C(F)(F)F.

What is the InChIKey of 15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?

The InChIKey is CHZHZFCNGBXHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O5/c1-3-28-8-7-14-9-13-10-16-12(11-17(13)30(14)2)5-4-6-15-19(16)29-21(31)18(22(32)33)20(15)35-23(34)24(25,26)27/h9-11,28H,3-8H2,1-2H3,(H,29,31)(H,32,33).

What are the key properties of 15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?

15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid has a molecular weight of 491.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[2-(ethylamino)ethyl]-14-methyl-4-oxo-6-(2,2,2-trifluoroacetyl)oxy-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid is sourced from PubChem (CID 71284881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).