3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide

C94H188N10O6 — CID 118180367

IUPAC3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
SMILESCCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C94H188N10O6/c1-7-13-19-25-31-37-42-48-54-60-72-96-90(106)66-78-101(77-65-89(105)95-71-59-53-47-36-30-24-18-12-6)83-85-103(81-69-93(109)99-75-63-57-51-45-40-34-28-22-16-10-4)87-88-104(82-70-94(110)100-76-64-58-52-46-41-35-29-23-17-11-5)86-84-102(79-67-91(107)97-73-61-55-49-43-38-32-26-20-14-8-2)80-68-92(108)98-74-62-56-50-44-39-33-27-21-15-9-3/h7-88H2,1-6H3,(H,95,105)(H,96,106)(H,97,107)(H,98,108)(H,99,109)(H,100,110)
InChIKeyCCCZUFHKVPHGFK-UHFFFAOYSA-N
MW1554.60 g/mol
LogP21.98
Rot. Bonds91

About 3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide

3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide (PubChem CID 118180367) has the molecular formula C94H188N10O6 and a molecular weight of 1554.60 g/mol. Its IUPAC name is 3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
PubChem CID118180367
Molecular FormulaC94H188N10O6
Molecular Weight1554.60 g/mol
Exact Mass1553.47
IUPAC Name3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
SMILESCCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C94H188N10O6/c1-7-13-19-25-31-37-42-48-54-60-72-96-90(106)66-78-101(77-65-89(105)95-71-59-53-47-36-30-24-18-12-6)83-85-103(81-69-93(109)99-75-63-57-51-45-40-34-28-22-16-10-4)87-88-104(82-70-94(110)100-76-64-58-52-46-41-35-29-23-17-11-5)86-84-102(79-67-91(107)97-73-61-55-49-43-38-32-26-20-14-8-2)80-68-92(108)98-74-62-56-50-44-39-33-27-21-15-9-3/h7-88H2,1-6H3,(H,95,105)(H,96,106)(H,97,107)(H,98,108)(H,99,109)(H,100,110)
InChIKeyCCCZUFHKVPHGFK-UHFFFAOYSA-N
XLogP21.98
TPSA187.56 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds91
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001554.60
LogP ≤ 521.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide with MolForge

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Related Compounds

3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
3-[3-[2-[3-[bis[3-oxo-3-(undecylamino)propyl]amino]propyl-propylamino]ethyl-propylamino]propyl-[3-oxo-3-(undecylamino)propyl]amino]-N-undecylpropanamide
CID 168851386
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
3-[2-[2-hydroxyethyl(propyl)amino]ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 58040549
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethyl-(6-oxononadecyl)amino]-N-dodecylpropanamide
CID 58498189
3-[2-[bis(3-oxohexadecyl)amino]ethyl-propylamino]-N-dodecylpropanamide
CID 158009319
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide?
The IUPAC name of 3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide (CID 118180367) is 3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide.
What is the SMILES notation for 3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide?
The canonical SMILES for 3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide is CCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC.
What is the InChIKey of 3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide?
The InChIKey is CCCZUFHKVPHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H188N10O6/c1-7-13-19-25-31-37-42-48-54-60-72-96-90(106)66-78-101(77-65-89(105)95-71-59-53-47-36-30-24-18-12-6)83-85-103(81-69-93(109)99-75-63-57-51-45-40-34-28-22-16-10-4)87-88-104(82-70-94(110)100-76-64-58-52-46-41-35-29-23-17-11-5)86-84-102(79-67-91(107)97-73-61-55-49-43-38-32-26-20-14-8-2)80-68-92(108)98-74-62-56-50-44-39-33-27-21-15-9-3/h7-88H2,1-6H3,(H,95,105)(H,96,106)(H,97,107)(H,98,108)(H,99,109)(H,100,110).
What are the key properties of 3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide?
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide has a molecular weight of 1554.60 g/mol, XLogP of 21.98, 91 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide is sourced from PubChem (CID 118180367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).