3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol)

C50H72N8O6 — CID 143901993

About 3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol)

3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol) (PubChem CID 143901993) has the molecular formula C50H72N8O6 and a molecular weight of 881.18 g/mol. Its IUPAC name is 3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol).

Molecular Properties

• Compound Name: 3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol)
• PubChem CID: 143901993
• Molecular Formula: C50H72N8O6
• Molecular Weight: 881.18 g/mol
• Exact Mass: 880.56
• IUPAC Name: 3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol)
• SMILES: Cc1ccc(O)cc1.Cc1ccc(O)cc1.NCCNC(CNCCNC(CNCCNC(CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
• InChI: InChI=1S/C36H56N8O4.2C7H8O/c37-14-16-42-30(21-27-1-7-33(45)8-2-27)25-40-17-20-44-32(23-29-5-11-35(47)12-6-29)26-41-18-19-43-31(24-39-15-13-36(38)48)22-28-3-9-34(46)10-4-28;2*1-6-2-4-7(8)5-3-6/h1-12,30-32,39-47H,13-26,37H2,(H2,38,48);2*2-5,8H,1H3
• InChIKey: UEVOHUYXUPFHHO-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 242.44 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	881.18
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol)?

The IUPAC name of 3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol) (CID 143901993) is 3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol).

What is the SMILES notation for 3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol)?

The canonical SMILES for 3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol) is Cc1ccc(O)cc1.Cc1ccc(O)cc1.NCCNC(CNCCNC(CNCCNC(CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1.

What is the InChIKey of 3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol)?

The InChIKey is UEVOHUYXUPFHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56N8O4.2C7H8O/c37-14-16-42-30(21-27-1-7-33(45)8-2-27)25-40-17-20-44-32(23-29-5-11-35(47)12-6-29)26-41-18-19-43-31(24-39-15-13-36(38)48)22-28-3-9-34(46)10-4-28;2*1-6-2-4-7(8)5-3-6/h1-12,30-32,39-47H,13-26,37H2,(H2,38,48);2*2-5,8H,1H3.

What are the key properties of 3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol)?

3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol) has a molecular weight of 881.18 g/mol, XLogP of 3.71, 26 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[2-[[2-[2-[[2-(2-aminoethylamino)-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]ethylamino]-3-(4-hydroxyphenyl)propyl]amino]propanamide;bis(4-methylphenol) is sourced from PubChem (CID 143901993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).