4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane

C47H70FN7O8 — CID 172597993

About 4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane

4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane (PubChem CID 172597993) has the molecular formula C47H70FN7O8 and a molecular weight of 880.12 g/mol. Its IUPAC name is 4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane.

Molecular Properties

• Compound Name: 4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane
• PubChem CID: 172597993
• Molecular Formula: C47H70FN7O8
• Molecular Weight: 880.12 g/mol
• Exact Mass: 879.53
• IUPAC Name: 4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane
• SMILES: CCCCCCCNC(=O)CCC(=O)N1Cc2ccccc2/C(N(N)CCOCCOCCOCCC=O)=C(/N)c2ccccc21.CNCC(=O)NCc1ccc(F)cc1.COC
• InChI: InChI=1S/C35H51N5O6.C10H13FN2O.C2H6O/c1-2-3-4-5-10-18-38-32(42)16-17-33(43)39-27-28-12-6-7-13-29(28)35(34(36)30-14-8-9-15-31(30)39)40(37)19-22-45-24-26-46-25-23-44-21-11-20-41;1-12-7-10(14)13-6-8-2-4-9(11)5-3-8;1-3-2/h6-9,12-15,20H,2-5,10-11,16-19,21-27,36-37H2,1H3,(H,38,42);2-5,12H,6-7H2,1H3,(H,13,14);1-2H3/b35-34-
• InChIKey: BYTKPAXIBGKJSY-HNLHWEMDSA-N
• XLogP: 4.92
• TPSA: 199.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 26
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.12
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane?

The IUPAC name of 4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane (CID 172597993) is 4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane.

What is the SMILES notation for 4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane?

The canonical SMILES for 4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane is CCCCCCCNC(=O)CCC(=O)N1Cc2ccccc2/C(N(N)CCOCCOCCOCCC=O)=C(/N)c2ccccc21.CNCC(=O)NCc1ccc(F)cc1.COC.

What is the InChIKey of 4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane?

The InChIKey is BYTKPAXIBGKJSY-HNLHWEMDSA-N. The full InChI is InChI=1S/C35H51N5O6.C10H13FN2O.C2H6O/c1-2-3-4-5-10-18-38-32(42)16-17-33(43)39-27-28-12-6-7-13-29(28)35(34(36)30-14-8-9-15-31(30)39)40(37)19-22-45-24-26-46-25-23-44-21-11-20-41;1-12-7-10(14)13-6-8-2-4-9(11)5-3-8;1-3-2/h6-9,12-15,20H,2-5,10-11,16-19,21-27,36-37H2,1H3,(H,38,42);2-5,12H,6-7H2,1H3,(H,13,14);1-2H3/b35-34-;;.

What are the key properties of 4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane?

4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane has a molecular weight of 880.12 g/mol, XLogP of 4.92, 26 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(11Z)-12-amino-11-[amino-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-N-heptyl-4-oxobutanamide;N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;methoxymethane is sourced from PubChem (CID 172597993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).