methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate

C41H58N8O8 — CID 143848533

About methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate

methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate (PubChem CID 143848533) has the molecular formula C41H58N8O8 and a molecular weight of 790.96 g/mol. Its IUPAC name is methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate.

Molecular Properties

• Compound Name: methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate
• PubChem CID: 143848533
• Molecular Formula: C41H58N8O8
• Molecular Weight: 790.96 g/mol
• Exact Mass: 790.44
• IUPAC Name: methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate
• SMILES: CCCN(Cc1ncc(-c2ccc(-c3ccc(-c4cnc(C(NC(=O)C(CCOC)NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(=O)CCCOC.CNC(=O)OC
• InChI: InChI=1S/C38H51N7O6.C3H7NO2/c1-7-19-45(34(46)9-8-20-49-4)24-33-39-22-31(41-33)28-14-10-26(11-15-28)27-12-16-29(17-13-27)32-23-40-36(42-32)35(25(2)3)44-37(47)30(18-21-50-5)43-38(48)51-6;1-4-3(5)6-2/h10-17,22-23,25,30,35H,7-9,18-21,24H2,1-6H3,(H,39,41)(H,40,42)(H,43,48)(H,44,47);1-2H3,(H,4,5)
• InChIKey: DXPVZPWMNVHEFC-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 201.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.96
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate?

The IUPAC name of methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate (CID 143848533) is methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate.

What is the SMILES notation for methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate?

The canonical SMILES for methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate is CCCN(Cc1ncc(-c2ccc(-c3ccc(-c4cnc(C(NC(=O)C(CCOC)NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(=O)CCCOC.CNC(=O)OC.

What is the InChIKey of methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate?

The InChIKey is DXPVZPWMNVHEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51N7O6.C3H7NO2/c1-7-19-45(34(46)9-8-20-49-4)24-33-39-22-31(41-33)28-14-10-26(11-15-28)27-12-16-29(17-13-27)32-23-40-36(42-32)35(25(2)3)44-37(47)30(18-21-50-5)43-38(48)51-6;1-4-3(5)6-2/h10-17,22-23,25,30,35H,7-9,18-21,24H2,1-6H3,(H,39,41)(H,40,42)(H,43,48)(H,44,47);1-2H3,(H,4,5).

What are the key properties of methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate?

methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate has a molecular weight of 790.96 g/mol, XLogP of 5.85, 19 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate is sourced from PubChem (CID 143848533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).