3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide

C75H150N6O4 — CID 46240872

IUPAC3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
SMILESCCCCCCCCCCCCCCCNC(=O)CCN(CCCN(CCC(=O)NCCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCCC
InChIInChI=1S/C75H150N6O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-62-76-72(82)58-68-80(69-59-73(83)77-63-54-50-46-42-38-34-30-26-22-18-14-10-6-2)66-57-67-81(70-60-74(84)78-64-55-51-47-43-39-35-31-27-23-19-15-11-7-3)71-61-75(85)79-65-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-71H2,1-4H3,(H,76,82)(H,77,83)(H,78,84)(H,79,85)
InChIKeyHQTXXEYJFHBYNC-UHFFFAOYSA-N
MW1200.06 g/mol
LogP20.37
Rot. Bonds72

About 3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide

3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide (PubChem CID 46240872) has the molecular formula C75H150N6O4 and a molecular weight of 1200.06 g/mol. Its IUPAC name is 3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide.

Molecular Properties

Compound Name3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
PubChem CID46240872
Molecular FormulaC75H150N6O4
Molecular Weight1200.06 g/mol
Exact Mass1199.17
IUPAC Name3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
SMILESCCCCCCCCCCCCCCCNC(=O)CCN(CCCN(CCC(=O)NCCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCCC
InChIInChI=1S/C75H150N6O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-62-76-72(82)58-68-80(69-59-73(83)77-63-54-50-46-42-38-34-30-26-22-18-14-10-6-2)66-57-67-81(70-60-74(84)78-64-55-51-47-43-39-35-31-27-23-19-15-11-7-3)71-61-75(85)79-65-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-71H2,1-4H3,(H,76,82)(H,77,83)(H,78,84)(H,79,85)
InChIKeyHQTXXEYJFHBYNC-UHFFFAOYSA-N
XLogP20.37
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds72
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001200.06
LogP ≤ 520.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide?
The IUPAC name of 3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide (CID 46240872) is 3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide.
What is the SMILES notation for 3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide?
The canonical SMILES for 3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide is CCCCCCCCCCCCCCCNC(=O)CCN(CCCN(CCC(=O)NCCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCCC.
What is the InChIKey of 3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide?
The InChIKey is HQTXXEYJFHBYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H150N6O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-62-76-72(82)58-68-80(69-59-73(83)77-63-54-50-46-42-38-34-30-26-22-18-14-10-6-2)66-57-67-81(70-60-74(84)78-64-55-51-47-43-39-35-31-27-23-19-15-11-7-3)71-61-75(85)79-65-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-71H2,1-4H3,(H,76,82)(H,77,83)(H,78,84)(H,79,85).
What are the key properties of 3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide?
3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide has a molecular weight of 1200.06 g/mol, XLogP of 20.37, 72 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[bis[3-oxo-3-(pentadecylamino)propyl]amino]propyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide is sourced from PubChem (CID 46240872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).