N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide

C27H45N5O7 — CID 166715214

About N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide

N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide (PubChem CID 166715214) has the molecular formula C27H45N5O7 and a molecular weight of 551.69 g/mol. Its IUPAC name is N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide.

Molecular Properties

• Compound Name: N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide
• PubChem CID: 166715214
• Molecular Formula: C27H45N5O7
• Molecular Weight: 551.69 g/mol
• Exact Mass: 551.33
• IUPAC Name: N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide
• SMILES: CNCCOCCOCCOCCNCCC(=O)Nc1cccc(C=O)c1CN(C)C(C)CCC(=O)NC=O
• InChI: InChI=1S/C27H45N5O7/c1-22(7-8-26(35)30-21-34)32(3)19-24-23(20-33)5-4-6-25(24)31-27(36)9-10-29-12-14-38-16-18-39-17-15-37-13-11-28-2/h4-6,20-22,28-29H,7-19H2,1-3H3,(H,31,36)(H,30,34,35)
• InChIKey: MLSCMULOMBCDPL-UHFFFAOYSA-N
• XLogP: 0.56
• TPSA: 147.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.69
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide?

The IUPAC name of N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide (CID 166715214) is N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide.

What is the SMILES notation for N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide?

The canonical SMILES for N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide is CNCCOCCOCCOCCNCCC(=O)Nc1cccc(C=O)c1CN(C)C(C)CCC(=O)NC=O.

What is the InChIKey of N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide?

The InChIKey is MLSCMULOMBCDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45N5O7/c1-22(7-8-26(35)30-21-34)32(3)19-24-23(20-33)5-4-6-25(24)31-27(36)9-10-29-12-14-38-16-18-39-17-15-37-13-11-28-2/h4-6,20-22,28-29H,7-19H2,1-3H3,(H,31,36)(H,30,34,35).

What are the key properties of N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide?

N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide has a molecular weight of 551.69 g/mol, XLogP of 0.56, 24 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide is sourced from PubChem (CID 166715214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).