3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide

C155H313N17O9 — CID 160695132

IUPAC3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide
SMILESCCCCCCCCCCCCNC(=O)CCN(CCCCNCCCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC)CCCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC.CCCCCCCCCCCCNC(=O)CCNCCCNCCCCN(CCCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C85H171N9O5.C70H142N8O4/c1-6-11-16-21-26-31-36-41-46-51-67-87-81(95)60-76-92(74-59-75-94(79-63-84(98)90-70-54-49-44-39-34-29-24-19-14-9-4)80-64-85(99)91-71-55-50-45-40-35-30-25-20-15-10-5)72-57-56-65-86-66-58-73-93(77-61-82(96)88-68-52-47-42-37-32-27-22-17-12-7-2)78-62-83(97)89-69-53-48-43-38-33-28-23-18-13-8-3;1-5-9-13-17-21-25-29-33-37-41-56-73-67(79)49-60-72-55-47-54-71-53-45-46-61-77(64-50-68(80)74-57-42-38-34-30-26-22-18-14-10-6-2)62-48-63-78(65-51-69(81)75-58-43-39-35-31-27-23-19-15-11-7-3)66-52-70(82)76-59-44-40-36-32-28-24-20-16-12-8-4/h86H,6-80H2,1-5H3,(H,87,95)(H,88,96)(H,89,97)(H,90,98)(H,91,99);71-72H,5-66H2,1-4H3,(H,73,79)(H,74,80)(H,75,81)(H,76,82)
InChIKeyRPWYUGNAAJJSFD-UHFFFAOYSA-N
MW2559.32 g/mol
LogP36.22
Rot. Bonds152

About 3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide

3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide (PubChem CID 160695132) has the molecular formula C155H313N17O9 and a molecular weight of 2559.32 g/mol. Its IUPAC name is 3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide.

Molecular Properties

Compound Name3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide
PubChem CID160695132
Molecular FormulaC155H313N17O9
Molecular Weight2559.32 g/mol
Exact Mass2557.46
IUPAC Name3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide
SMILESCCCCCCCCCCCCNC(=O)CCN(CCCCNCCCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC)CCCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC.CCCCCCCCCCCCNC(=O)CCNCCCNCCCCN(CCCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C85H171N9O5.C70H142N8O4/c1-6-11-16-21-26-31-36-41-46-51-67-87-81(95)60-76-92(74-59-75-94(79-63-84(98)90-70-54-49-44-39-34-29-24-19-14-9-4)80-64-85(99)91-71-55-50-45-40-35-30-25-20-15-10-5)72-57-56-65-86-66-58-73-93(77-61-82(96)88-68-52-47-42-37-32-27-22-17-12-7-2)78-62-83(97)89-69-53-48-43-38-33-28-23-18-13-8-3;1-5-9-13-17-21-25-29-33-37-41-56-73-67(79)49-60-72-55-47-54-71-53-45-46-61-77(64-50-68(80)74-57-42-38-34-30-26-22-18-14-10-6-2)62-48-63-78(65-51-69(81)75-58-43-39-35-31-27-23-19-15-11-7-3)66-52-70(82)76-59-44-40-36-32-28-24-20-16-12-8-4/h86H,6-80H2,1-5H3,(H,87,95)(H,88,96)(H,89,97)(H,90,98)(H,91,99);71-72H,5-66H2,1-4H3,(H,73,79)(H,74,80)(H,75,81)(H,76,82)
InChIKeyRPWYUGNAAJJSFD-UHFFFAOYSA-N
XLogP36.22
TPSA314.19 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds152
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002559.32
LogP ≤ 536.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide with MolForge

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Related Compounds

3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570
N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(3-hydroxypropyl)amino]propanamide;N-dodecyl-3-(3-hydroxypropylamino)propanamide;methane
CID 159916447
3-[3-[bis(2-hydroxyethyl)amino]propylamino]-N-hexadecylpropanamide
CID 58040536
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
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-[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-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
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
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399

Frequently Asked Questions

What is the IUPAC name of 3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide?
The IUPAC name of 3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide (CID 160695132) is 3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide.
What is the SMILES notation for 3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide?
The canonical SMILES for 3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide is CCCCCCCCCCCCNC(=O)CCN(CCCCNCCCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC)CCCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC.CCCCCCCCCCCCNC(=O)CCNCCCNCCCCN(CCCN(CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCC.
What is the InChIKey of 3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide?
The InChIKey is RPWYUGNAAJJSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H171N9O5.C70H142N8O4/c1-6-11-16-21-26-31-36-41-46-51-67-87-81(95)60-76-92(74-59-75-94(79-63-84(98)90-70-54-49-44-39-34-29-24-19-14-9-4)80-64-85(99)91-71-55-50-45-40-35-30-25-20-15-10-5)72-57-56-65-86-66-58-73-93(77-61-82(96)88-68-52-47-42-37-32-27-22-17-12-7-2)78-62-83(97)89-69-53-48-43-38-33-28-23-18-13-8-3;1-5-9-13-17-21-25-29-33-37-41-56-73-67(79)49-60-72-55-47-54-71-53-45-46-61-77(64-50-68(80)74-57-42-38-34-30-26-22-18-14-10-6-2)62-48-63-78(65-51-69(81)75-58-43-39-35-31-27-23-19-15-11-7-3)66-52-70(82)76-59-44-40-36-32-28-24-20-16-12-8-4/h86H,6-80H2,1-5H3,(H,87,95)(H,88,96)(H,89,97)(H,90,98)(H,91,99);71-72H,5-66H2,1-4H3,(H,73,79)(H,74,80)(H,75,81)(H,76,82).
What are the key properties of 3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide?
3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide has a molecular weight of 2559.32 g/mol, XLogP of 36.22, 152 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide is sourced from PubChem (CID 160695132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).