ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine

C66H113FN4O13 — CID 168980432

About ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine

ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine (PubChem CID 168980432) has the molecular formula C66H113FN4O13 and a molecular weight of 1189.64 g/mol. Its IUPAC name is ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine.

Molecular Properties

• Compound Name: ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine
• PubChem CID: 168980432
• Molecular Formula: C66H113FN4O13
• Molecular Weight: 1189.64 g/mol
• Exact Mass: 1188.83
• IUPAC Name: ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine
• SMILES: CC.CC.CC.CC.CC.CC.CNC.Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(OCCOCCOCCOCCOCCOCCOCCOCCOC(C)C)cc3)cc12
• InChI: InChI=1S/C52H70FN3O13.C2H7N.6C2H6/c1-36(2)67-28-26-65-24-22-63-20-18-61-16-14-60-15-17-62-19-21-64-23-25-66-27-29-68-42-11-8-39(9-12-42)34-54-50(57)46-33-44-45(35-56(7)51(58)48(44)55-46)43-32-40(52(5,6)59)10-13-47(43)69-49-37(3)30-41(53)31-38(49)4;1-3-2;6*1-2/h8-13,30-33,35-36,55,59H,14-29,34H2,1-7H3,(H,54,57);3H,1-2H3;6*1-2H3
• InChIKey: TXPZUQVQPGFFNI-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 191.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 33
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1189.64
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine?

The IUPAC name of ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine (CID 168980432) is ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine.

What is the SMILES notation for ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine?

The canonical SMILES for ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine is CC.CC.CC.CC.CC.CC.CNC.Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(OCCOCCOCCOCCOCCOCCOCCOCCOC(C)C)cc3)cc12.

What is the InChIKey of ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine?

The InChIKey is TXPZUQVQPGFFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H70FN3O13.C2H7N.6C2H6/c1-36(2)67-28-26-65-24-22-63-20-18-61-16-14-60-15-17-62-19-21-64-23-25-66-27-29-68-42-11-8-39(9-12-42)34-54-50(57)46-33-44-45(35-56(7)51(58)48(44)55-46)43-32-40(52(5,6)59)10-13-47(43)69-49-37(3)30-41(53)31-38(49)4;1-3-2;6*1-2/h8-13,30-33,35-36,55,59H,14-29,34H2,1-7H3,(H,54,57);3H,1-2H3;6*1-2H3.

What are the key properties of ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine?

ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine has a molecular weight of 1189.64 g/mol, XLogP of 13.15, 33 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-N-[[4-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-methylmethanamine is sourced from PubChem (CID 168980432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).