3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane

C240H489N21O12 — CID 158556513

About 3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane

3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane (PubChem CID 158556513) has the molecular formula C240H489N21O12 and a molecular weight of 3861.69 g/mol. Its IUPAC name is 3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane.

Molecular Properties

• Compound Name: 3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane
• PubChem CID: 158556513
• Molecular Formula: C240H489N21O12
• Molecular Weight: 3861.69 g/mol
• Exact Mass: 3858.83
• IUPAC Name: 3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane
• SMILES: C.CCCCCCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCNC(=O)CCN(CCN)CCC(=O)NCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCNC(=O)CCNCCC.CCCCCCCCCCCCCCCCNC(=O)CCNCCN(CCC(=O)NCCCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCNC(=O)CCNCCNCCC(=O)NCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C78H156N6O4.C59H119N5O3.2C40H82N4O2.C22H46N2O.CH4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65-79-75(85)61-69-83(70-62-76(86)80-66-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)73-74-84(71-63-77(87)81-67-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-64-78(88)82-68-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49-61-57(65)46-52-60-53-56-64(54-47-58(66)62-50-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-48-59(67)63-51-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-42-39(45)31-36-44(38-33-41)37-32-40(46)43-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-43-39(45)31-35-41-37-38-42-36-32-40(46)44-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-22(25)18-21-23-19-4-2;/h5-74H2,1-4H3,(H,79,85)(H,80,86)(H,81,87)(H,82,88);60H,4-56H2,1-3H3,(H,61,65)(H,62,66)(H,63,67);3-38,41H2,1-2H3,(H,42,45)(H,43,46);41-42H,3-38H2,1-2H3,(H,43,45)(H,44,46);23H,3-21H2,1-2H3,(H,24,25);1H4
• InChIKey: HQJAWPZOGMGSIQ-UHFFFAOYSA-N
• XLogP: 64.35
• TPSA: 436.30 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 21
• Rotatable Bonds: 229
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3861.69
LogP ≤ 5	64.35
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane?

The IUPAC name of 3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane (CID 158556513) is 3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane.

What is the SMILES notation for 3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane?

The canonical SMILES for 3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane is C.CCCCCCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCNC(=O)CCN(CCN)CCC(=O)NCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCNC(=O)CCNCCC.CCCCCCCCCCCCCCCCNC(=O)CCNCCN(CCC(=O)NCCCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCNC(=O)CCNCCNCCC(=O)NCCCCCCCCCCCCCCCC.

What is the InChIKey of 3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane?

The InChIKey is HQJAWPZOGMGSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H156N6O4.C59H119N5O3.2C40H82N4O2.C22H46N2O.CH4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65-79-75(85)61-69-83(70-62-76(86)80-66-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)73-74-84(71-63-77(87)81-67-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-64-78(88)82-68-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49-61-57(65)46-52-60-53-56-64(54-47-58(66)62-50-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-48-59(67)63-51-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-42-39(45)31-36-44(38-33-41)37-32-40(46)43-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-43-39(45)31-35-41-37-38-42-36-32-40(46)44-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-22(25)18-21-23-19-4-2;/h5-74H2,1-4H3,(H,79,85)(H,80,86)(H,81,87)(H,82,88);60H,4-56H2,1-3H3,(H,61,65)(H,62,66)(H,63,67);3-38,41H2,1-2H3,(H,42,45)(H,43,46);41-42H,3-38H2,1-2H3,(H,43,45)(H,44,46);23H,3-21H2,1-2H3,(H,24,25);1H4.

What are the key properties of 3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane?

3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane has a molecular weight of 3861.69 g/mol, XLogP of 64.35, 229 rotatable bonds, 17 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-aminoethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]-N-hexadecylpropanamide;3-[2-[bis[3-(hexadecylamino)-3-oxopropyl]amino]ethyl-[3-(hexadecylamino)-3-oxopropyl]amino]-N-hexadecylpropanamide;N-hexadecyl-3-[2-[[3-(hexadecylamino)-3-oxopropyl]amino]ethylamino]propanamide;N-hexadecyl-3-(propylamino)propanamide;methane is sourced from PubChem (CID 158556513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).