3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide

C69H139N7O10 — CID 176644819

IUPAC3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
SMILESCCCCCCCCCCCCNC(=O)C(O)CN(CCCN(CCCN(CC(O)C(=O)NCCCCCCCCCCCC)CC(O)C(=O)NCCCCCCCCCCCC)CC(O)CO)CC(O)C(=O)NCCCCCCCCCCCC
InChIInChI=1S/C69H139N7O10/c1-5-9-13-17-21-25-29-33-37-41-47-70-66(83)62(79)56-75(57-63(80)67(84)71-48-42-38-34-30-26-22-18-14-10-6-2)53-45-51-74(55-61(78)60-77)52-46-54-76(58-64(81)68(85)72-49-43-39-35-31-27-23-19-15-11-7-3)59-65(82)69(86)73-50-44-40-36-32-28-24-20-16-12-8-4/h61-65,77-82H,5-60H2,1-4H3,(H,70,83)(H,71,84)(H,72,85)(H,73,86)
InChIKeyCEEJZYXYOIZPKP-UHFFFAOYSA-N
MW1226.91 g/mol
LogP10.62
Rot. Bonds67

About 3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide

3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide (PubChem CID 176644819) has the molecular formula C69H139N7O10 and a molecular weight of 1226.91 g/mol. Its IUPAC name is 3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
PubChem CID176644819
Molecular FormulaC69H139N7O10
Molecular Weight1226.91 g/mol
Exact Mass1226.06
IUPAC Name3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
SMILESCCCCCCCCCCCCNC(=O)C(O)CN(CCCN(CCCN(CC(O)C(=O)NCCCCCCCCCCCC)CC(O)C(=O)NCCCCCCCCCCCC)CC(O)CO)CC(O)C(=O)NCCCCCCCCCCCC
InChIInChI=1S/C69H139N7O10/c1-5-9-13-17-21-25-29-33-37-41-47-70-66(83)62(79)56-75(57-63(80)67(84)71-48-42-38-34-30-26-22-18-14-10-6-2)53-45-51-74(55-61(78)60-77)52-46-54-76(58-64(81)68(85)72-49-43-39-35-31-27-23-19-15-11-7-3)59-65(82)69(86)73-50-44-40-36-32-28-24-20-16-12-8-4/h61-65,77-82H,5-60H2,1-4H3,(H,70,83)(H,71,84)(H,72,85)(H,73,86)
InChIKeyCEEJZYXYOIZPKP-UHFFFAOYSA-N
XLogP10.62
TPSA247.50 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds67
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001226.91
LogP ≤ 510.62
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-[bis[3-(decylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2-hydroxyethyl)amino]-N-decyl-2-hydroxypropanamide
CID 177295729
3-[3-[bis(2-hydroxyethyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
CID 177295772
3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2-hydroxyethyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
CID 176644700
3-[3-[4-[3-[bis[3-(decylamino)-2-hydroxy-3-oxopropyl]amino]propyl]piperazin-1-yl]propyl-[3-(decylamino)-2-hydroxy-3-oxopropyl]amino]-N-decyl-2-hydroxypropanamide
CID 176741157
(2S)-3-[[(2S)-2,3-dihydroxypropyl]-dodecylamino]propane-1,2-diol
CID 91864838
2,3-dihydroxy-N-tetradecylpropanamide
CID 172845175
pentadecan-8-yl 4-[[3-[3-[bis[2-hydroxy-3-oxo-3-[(4-oxo-4-pentadecan-8-yloxybutyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]-2-hydroxypropanoyl]amino]butanoate
CID 177295731
(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 98095005
N-[3-[3-decoxypropyl(2,3-dihydroxypropyl)amino]propyl]octadecanamide
CID 155083895
N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide
CID 155083884
N'-[2-[2-[[3-(5-aminopentylamino)-3-oxopropanoyl]amino]ethyl-(2,3-dihydroxypropyl)amino]ethyl]-N-propylpropanediamide
CID 58425894
3-[2,3-dihydroxypropyl-[(E)-undec-4-enyl]amino]propane-1,2-diol
CID 101275334

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide?
The IUPAC name of 3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide (CID 176644819) is 3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide.
What is the SMILES notation for 3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide?
The canonical SMILES for 3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide is CCCCCCCCCCCCNC(=O)C(O)CN(CCCN(CCCN(CC(O)C(=O)NCCCCCCCCCCCC)CC(O)C(=O)NCCCCCCCCCCCC)CC(O)CO)CC(O)C(=O)NCCCCCCCCCCCC.
What is the InChIKey of 3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide?
The InChIKey is CEEJZYXYOIZPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H139N7O10/c1-5-9-13-17-21-25-29-33-37-41-47-70-66(83)62(79)56-75(57-63(80)67(84)71-48-42-38-34-30-26-22-18-14-10-6-2)53-45-51-74(55-61(78)60-77)52-46-54-76(58-64(81)68(85)72-49-43-39-35-31-27-23-19-15-11-7-3)59-65(82)69(86)73-50-44-40-36-32-28-24-20-16-12-8-4/h61-65,77-82H,5-60H2,1-4H3,(H,70,83)(H,71,84)(H,72,85)(H,73,86).
What are the key properties of 3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide?
3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide has a molecular weight of 1226.91 g/mol, XLogP of 10.62, 67 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2,3-dihydroxypropyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide is sourced from PubChem (CID 176644819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).