N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide

C71H142N6O4 — CID 88929141

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

About N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide

N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide (PubChem CID 88929141) has the molecular formula C71H142N6O4 and a molecular weight of 1143.95 g/mol. Its IUPAC name is N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide.

Molecular Properties

Compound NameN-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
PubChem CID88929141
Molecular FormulaC71H142N6O4
Molecular Weight1143.95 g/mol
Exact Mass1143.11
IUPAC NameN-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCCN(CCCNC(=O)CCCCCCCCCCCCC)CCCN(CCCNC(=O)CCCCCCCCCCCCC)CCCNC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C71H142N6O4/c1-5-9-13-17-21-25-29-33-37-41-45-54-68(78)72-58-49-62-76(63-50-59-73-69(79)55-46-42-38-34-30-26-22-18-14-10-6-2)66-53-67-77(64-51-60-74-70(80)56-47-43-39-35-31-27-23-19-15-11-7-3)65-52-61-75-71(81)57-48-44-40-36-32-28-24-20-16-12-8-4/h5-67H2,1-4H3,(H,72,78)(H,73,79)(H,74,80)(H,75,81)
InChIKeyXBCLPOITYJFWAL-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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Related Compounds

N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 102116497
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
N-[3-[bis(2-cyanoethyl)amino]propyl]hexadecanamide
CID 101100760
N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide?
The IUPAC name of N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide (CID 88929141) is N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide.
What is the SMILES notation for N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide?
The canonical SMILES for N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCCCN(CCCNC(=O)CCCCCCCCCCCCC)CCCN(CCCNC(=O)CCCCCCCCCCCCC)CCCNC(=O)CCCCCCCCCCCCC.
What is the InChIKey of N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide?
The InChIKey is XBCLPOITYJFWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H142N6O4/c1-5-9-13-17-21-25-29-33-37-41-45-54-68(78)72-58-49-62-76(63-50-59-73-69(79)55-46-42-38-34-30-26-22-18-14-10-6-2)66-53-67-77(64-51-60-74-70(80)56-47-43-39-35-31-27-23-19-15-11-7-3)65-52-61-75-71(81)57-48-44-40-36-32-28-24-20-16-12-8-4/h5-67H2,1-4H3,(H,72,78)(H,73,79)(H,74,80)(H,75,81).
What are the key properties of N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide?
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide 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 N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide is sourced from PubChem (CID 88929141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).