methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane

C53H74N8O7 — CID 144563665

About methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane

methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane (PubChem CID 144563665) has the molecular formula C53H74N8O7 and a molecular weight of 935.22 g/mol. Its IUPAC name is methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane.

Molecular Properties

• Compound Name: methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane
• PubChem CID: 144563665
• Molecular Formula: C53H74N8O7
• Molecular Weight: 935.22 g/mol
• Exact Mass: 934.57
• IUPAC Name: methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane
• SMILES: CCC.CCC.CN1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)CNC=O)[nH]5)cc4)c4c3C3CCC4O3)cc2)[nH]1.CNCC=O.COC.COC=O
• InChI: InChI=1S/C40H41N7O3.C3H7NO.2C3H8.C2H4O2.C2H6O/c1-46-18-2-4-32(46)39-42-20-30(44-39)26-10-6-24(7-11-26)28-14-15-29(38-35-17-16-34(50-35)37(28)38)25-8-12-27(13-9-25)31-21-43-40(45-31)33-5-3-19-47(33)36(49)22-41-23-48;1-4-2-3-5;2*1-3-2;1-4-2-3;1-3-2/h6-15,20-21,23,32-35H,2-5,16-19,22H2,1H3,(H,41,48)(H,42,44)(H,43,45);3-4H,2H2,1H3;2*3H2,1-2H3;2H,1H3;1-2H3/t32-,33-,34?,35?;;;;;/m0...../s1
• InChIKey: MXAHGBPREQGBNP-ZUANPBFZSA-N
• XLogP: 9.17
• TPSA: 183.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	935.22
LogP ≤ 5	9.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane?

The IUPAC name of methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane (CID 144563665) is methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane.

What is the SMILES notation for methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane?

The canonical SMILES for methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane is CCC.CCC.CN1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)CNC=O)[nH]5)cc4)c4c3C3CCC4O3)cc2)[nH]1.CNCC=O.COC.COC=O.

What is the InChIKey of methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane?

The InChIKey is MXAHGBPREQGBNP-ZUANPBFZSA-N. The full InChI is InChI=1S/C40H41N7O3.C3H7NO.2C3H8.C2H4O2.C2H6O/c1-46-18-2-4-32(46)39-42-20-30(44-39)26-10-6-24(7-11-26)28-14-15-29(38-35-17-16-34(50-35)37(28)38)25-8-12-27(13-9-25)31-21-43-40(45-31)33-5-3-19-47(33)36(49)22-41-23-48;1-4-2-3-5;2*1-3-2;1-4-2-3;1-3-2/h6-15,20-21,23,32-35H,2-5,16-19,22H2,1H3,(H,41,48)(H,42,44)(H,43,45);3-4H,2H2,1H3;2*3H2,1-2H3;2H,1H3;1-2H3/t32-,33-,34?,35?;;;;;/m0...../s1.

What are the key properties of methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane?

methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane has a molecular weight of 935.22 g/mol, XLogP of 9.17, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methoxymethane;2-(methylamino)acetaldehyde;methyl formate;N-[2-[(2S)-2-[5-[4-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]formamide;propane is sourced from PubChem (CID 144563665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).