3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide

C71H142N6O4 — CID 46240569

IUPAC3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)CCN(CCCN(CCC(=O)NCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C71H142N6O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-58-72-68(78)54-64-76(65-55-69(79)73-59-50-46-42-38-34-30-26-22-18-14-10-6-2)62-53-63-77(66-56-70(80)74-60-51-47-43-39-35-31-27-23-19-15-11-7-3)67-57-71(81)75-61-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-67H2,1-4H3,(H,72,78)(H,73,79)(H,74,80)(H,75,81)
InChIKeySERFAPZLGLTRBI-UHFFFAOYSA-N
MW1143.95 g/mol
LogP18.81
Rot. Bonds68

About 3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide

3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide (PubChem CID 46240569) has the molecular formula C71H142N6O4 and a molecular weight of 1143.95 g/mol. Its IUPAC name is 3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide.

Molecular Properties

Compound Name3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
PubChem CID46240569
Molecular FormulaC71H142N6O4
Molecular Weight1143.95 g/mol
Exact Mass1143.11
IUPAC Name3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)CCN(CCCN(CCC(=O)NCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C71H142N6O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-58-72-68(78)54-64-76(65-55-69(79)73-59-50-46-42-38-34-30-26-22-18-14-10-6-2)62-53-63-77(66-56-70(80)74-60-51-47-43-39-35-31-27-23-19-15-11-7-3)67-57-71(81)75-61-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-67H2,1-4H3,(H,72,78)(H,73,79)(H,74,80)(H,75,81)
InChIKeySERFAPZLGLTRBI-UHFFFAOYSA-N
XLogP18.81
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds68
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.95
LogP ≤ 518.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide?
The IUPAC name of 3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide (CID 46240569) is 3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide.
What is the SMILES notation for 3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide?
The canonical SMILES for 3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide is CCCCCCCCCCCCCCNC(=O)CCN(CCCN(CCC(=O)NCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCC.
What is the InChIKey of 3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide?
The InChIKey is SERFAPZLGLTRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H142N6O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-58-72-68(78)54-64-76(65-55-69(79)73-59-50-46-42-38-34-30-26-22-18-14-10-6-2)62-53-63-77(66-56-70(80)74-60-51-47-43-39-35-31-27-23-19-15-11-7-3)67-57-71(81)75-61-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-67H2,1-4H3,(H,72,78)(H,73,79)(H,74,80)(H,75,81).
What are the key properties of 3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide?
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide has a molecular weight of 1143.95 g/mol, XLogP of 18.81, 68 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-(tetradecylamino)propyl]amino]propyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide is sourced from PubChem (CID 46240569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).