[2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate

C45H50N8O6 — CID 134422500

About [2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate

[2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate (PubChem CID 134422500) has the molecular formula C45H50N8O6 and a molecular weight of 798.95 g/mol. Its IUPAC name is [2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate.

Molecular Properties

• Compound Name: [2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate
• PubChem CID: 134422500
• Molecular Formula: C45H50N8O6
• Molecular Weight: 798.95 g/mol
• Exact Mass: 798.39
• IUPAC Name: [2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate
• SMILES: CCCN(Cc1ncc(-c2ccc3cc(-c4ccc(-c5cnc(CN(CCC)C(=O)C(OC(=O)N(C)C)c6ccccc6)[nH]5)cc4)ccc3c2)[nH]1)C(=O)CNC(=O)OC
• InChI: InChI=1S/C45H50N8O6/c1-6-21-52(41(54)27-48-44(56)58-5)28-39-47-26-38(50-39)36-20-19-34-23-33(17-18-35(34)24-36)30-13-15-31(16-14-30)37-25-46-40(49-37)29-53(22-7-2)43(55)42(59-45(57)51(3)4)32-11-9-8-10-12-32/h8-20,23-26,42H,6-7,21-22,27-29H2,1-5H3,(H,46,49)(H,47,50)(H,48,56)
• InChIKey: FEYMKPWUVJAFGE-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 165.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.95
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate?

The IUPAC name of [2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate (CID 134422500) is [2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate.

What is the SMILES notation for [2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate?

The canonical SMILES for [2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate is CCCN(Cc1ncc(-c2ccc3cc(-c4ccc(-c5cnc(CN(CCC)C(=O)C(OC(=O)N(C)C)c6ccccc6)[nH]5)cc4)ccc3c2)[nH]1)C(=O)CNC(=O)OC.

What is the InChIKey of [2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate?

The InChIKey is FEYMKPWUVJAFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50N8O6/c1-6-21-52(41(54)27-48-44(56)58-5)28-39-47-26-38(50-39)36-20-19-34-23-33(17-18-35(34)24-36)30-13-15-31(16-14-30)37-25-46-40(49-37)29-53(22-7-2)43(55)42(59-45(57)51(3)4)32-11-9-8-10-12-32/h8-20,23-26,42H,6-7,21-22,27-29H2,1-5H3,(H,46,49)(H,47,50)(H,48,56).

What are the key properties of [2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate?

[2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate has a molecular weight of 798.95 g/mol, XLogP of 7.56, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[5-[4-[6-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxo-1-phenylethyl] N,N-dimethylcarbamate is sourced from PubChem (CID 134422500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).