N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane

C24H34F6N4O6 — CID 162726578

About N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane

N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane (PubChem CID 162726578) has the molecular formula C24H34F6N4O6 and a molecular weight of 588.55 g/mol. Its IUPAC name is N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane.

Molecular Properties

• Compound Name: N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane
• PubChem CID: 162726578
• Molecular Formula: C24H34F6N4O6
• Molecular Weight: 588.55 g/mol
• Exact Mass: 588.24
• IUPAC Name: N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane
• SMILES: CC.COC(C)(C)C.O=CNc1cc(C(F)(F)F)c2nc1-c1nnc(o1)C(O)(C(F)(F)F)CCCC(O)CCO2
• InChI: InChI=1S/C17H16F6N4O5.C5H12O.C2H6/c18-16(19,20)9-6-10(24-7-28)11-13-26-27-14(32-13)15(30,17(21,22)23)4-1-2-8(29)3-5-31-12(9)25-11;1-5(2,3)6-4;1-2/h6-8,29-30H,1-5H2,(H,24,28);1-4H3;1-2H3
• InChIKey: WJDONDTXHXGOAP-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 139.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.55
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane?

The IUPAC name of N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane (CID 162726578) is N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane.

What is the SMILES notation for N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane?

The canonical SMILES for N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane is CC.COC(C)(C)C.O=CNc1cc(C(F)(F)F)c2nc1-c1nnc(o1)C(O)(C(F)(F)F)CCCC(O)CCO2.

What is the InChIKey of N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane?

The InChIKey is WJDONDTXHXGOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N4O5.C5H12O.C2H6/c18-16(19,20)9-6-10(24-7-28)11-13-26-27-14(32-13)15(30,17(21,22)23)4-1-2-8(29)3-5-31-12(9)25-11;1-5(2,3)6-4;1-2/h6-8,29-30H,1-5H2,(H,24,28);1-4H3;1-2H3.

What are the key properties of N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane?

N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane has a molecular weight of 588.55 g/mol, XLogP of 5.24, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6,10-dihydroxy-6,15-bis(trifluoromethyl)-13,19-dioxa-3,4,18-triazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-17-yl]formamide;ethane;2-methoxy-2-methylpropane is sourced from PubChem (CID 162726578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).