ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide

C29H34FN3O6 — CID 166490531

About ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide

ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide (PubChem CID 166490531) has the molecular formula C29H34FN3O6 and a molecular weight of 539.60 g/mol. Its IUPAC name is ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide.

Molecular Properties

• Compound Name: ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide
• PubChem CID: 166490531
• Molecular Formula: C29H34FN3O6
• Molecular Weight: 539.60 g/mol
• Exact Mass: 539.24
• IUPAC Name: ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide
• SMILES: CC.Cc1c(F)cc2nc3c(c4c2c1CCC4C)Cn1c-3cc2c(c1=O)COC(=O)C2O.NC(=O)CCCO
• InChI: InChI=1S/C23H19FN2O4.C4H9NO2.C2H6/c1-9-3-4-11-10(2)15(24)6-16-19(11)18(9)13-7-26-17(20(13)25-16)5-12-14(22(26)28)8-30-23(29)21(12)27;5-4(7)2-1-3-6;1-2/h5-6,9,21,27H,3-4,7-8H2,1-2H3;6H,1-3H2,(H2,5,7);1-2H3
• InChIKey: YLUSBZLILWIMIR-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 144.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.60
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide?

The IUPAC name of ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide (CID 166490531) is ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide.

What is the SMILES notation for ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide?

The canonical SMILES for ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide is CC.Cc1c(F)cc2nc3c(c4c2c1CCC4C)Cn1c-3cc2c(c1=O)COC(=O)C2O.NC(=O)CCCO.

What is the InChIKey of ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide?

The InChIKey is YLUSBZLILWIMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4.C4H9NO2.C2H6/c1-9-3-4-11-10(2)15(24)6-16-19(11)18(9)13-7-26-17(20(13)25-16)5-12-14(22(26)28)8-30-23(29)21(12)27;5-4(7)2-1-3-6;1-2/h5-6,9,21,27H,3-4,7-8H2,1-2H3;6H,1-3H2,(H2,5,7);1-2H3.

What are the key properties of ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide?

ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide has a molecular weight of 539.60 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;4-hydroxybutanamide is sourced from PubChem (CID 166490531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).