3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide

C195H395N19O11 — CID 160990447

IUPAC3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCC.CCCCCCCCCCCCCCNC(=O)CCN(CCN)CCC(=O)NCCCCCCCCCCCCCC.CCCCCCCCCCCCCCNC(=O)CCNCCN(CCC(=O)NCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCC.CCCCCCCCCCCCCCNC(=O)CCNCCNCCC(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C70H140N6O4.C53H107N5O3.2C36H74N4O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-57-71-67(77)53-61-75(62-54-68(78)72-58-50-46-42-38-34-30-26-22-18-14-10-6-2)65-66-76(63-55-69(79)73-59-51-47-43-39-35-31-27-23-19-15-11-7-3)64-56-70(80)74-60-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-31-34-37-43-55-51(59)40-46-54-47-50-58(48-41-52(60)56-44-38-35-32-29-26-23-20-17-14-11-8-5-2)49-42-53(61)57-45-39-36-33-30-27-24-21-18-15-12-9-6-3;1-3-5-7-9-11-13-15-17-19-21-23-25-30-38-35(41)27-32-40(34-29-37)33-28-36(42)39-31-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-29-39-35(41)27-31-37-33-34-38-32-28-36(42)40-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-66H2,1-4H3,(H,71,77)(H,72,78)(H,73,79)(H,74,80);54H,4-50H2,1-3H3,(H,55,59)(H,56,60)(H,57,61);3-34,37H2,1-2H3,(H,38,41)(H,39,42);37-38H,3-34H2,1-2H3,(H,39,41)(H,40,42)
InChIKeyTUNZUMATVAXHGC-UHFFFAOYSA-N
MW3182.43 g/mol
LogP49.16
Rot. Bonds187

About 3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide

3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide (PubChem CID 160990447) has the molecular formula C195H395N19O11 and a molecular weight of 3182.43 g/mol. Its IUPAC name is 3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide.

Molecular Properties

Compound Name3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide
PubChem CID160990447
Molecular FormulaC195H395N19O11
Molecular Weight3182.43 g/mol
Exact Mass3180.09
IUPAC Name3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCC.CCCCCCCCCCCCCCNC(=O)CCN(CCN)CCC(=O)NCCCCCCCCCCCCCC.CCCCCCCCCCCCCCNC(=O)CCNCCN(CCC(=O)NCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCC.CCCCCCCCCCCCCCNC(=O)CCNCCNCCC(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C70H140N6O4.C53H107N5O3.2C36H74N4O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-57-71-67(77)53-61-75(62-54-68(78)72-58-50-46-42-38-34-30-26-22-18-14-10-6-2)65-66-76(63-55-69(79)73-59-51-47-43-39-35-31-27-23-19-15-11-7-3)64-56-70(80)74-60-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-31-34-37-43-55-51(59)40-46-54-47-50-58(48-41-52(60)56-44-38-35-32-29-26-23-20-17-14-11-8-5-2)49-42-53(61)57-45-39-36-33-30-27-24-21-18-15-12-9-6-3;1-3-5-7-9-11-13-15-17-19-21-23-25-30-38-35(41)27-32-40(34-29-37)33-28-36(42)39-31-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-29-39-35(41)27-31-37-33-34-38-32-28-36(42)40-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-66H2,1-4H3,(H,71,77)(H,72,78)(H,73,79)(H,74,80);54H,4-50H2,1-3H3,(H,55,59)(H,56,60)(H,57,61);3-34,37H2,1-2H3,(H,38,41)(H,39,42);37-38H,3-34H2,1-2H3,(H,39,41)(H,40,42)
InChIKeyTUNZUMATVAXHGC-UHFFFAOYSA-N
XLogP49.16
TPSA395.17 Ų
H-Bond Donors15
H-Bond Acceptors19
Rotatable Bonds187
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003182.43
LogP ≤ 549.16
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide with MolForge

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Related Compounds

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
3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide
CID 123789929
3-[2-[bis(2-hydroxyethyl)amino]ethylamino]-N-pentadecylpropanamide;3-[2-[2-hydroxyethyl(propyl)amino]ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 161095929
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570
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
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-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethylamino]ethyl-(3-oxohexadecyl)amino]-N-dodecylpropanamide
CID 158384217
3-[2-[2-[2-[bis(3-oxohexadecyl)amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 159136104
1-[2-aminoethyl-[2-(propylamino)ethyl]amino]heptan-3-one;3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide;N-propyl-3-[5-(propylamino)pentylamino]propanamide
CID 159753035
2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide
CID 175717658

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide?
The IUPAC name of 3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide (CID 160990447) is 3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide.
What is the SMILES notation for 3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide?
The canonical SMILES for 3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide is CCCCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCCCCCC)CCN(CCC(=O)NCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCC.CCCCCCCCCCCCCCNC(=O)CCN(CCN)CCC(=O)NCCCCCCCCCCCCCC.CCCCCCCCCCCCCCNC(=O)CCNCCN(CCC(=O)NCCCCCCCCCCCCCC)CCC(=O)NCCCCCCCCCCCCCC.CCCCCCCCCCCCCCNC(=O)CCNCCNCCC(=O)NCCCCCCCCCCCCCC.
What is the InChIKey of 3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide?
The InChIKey is TUNZUMATVAXHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H140N6O4.C53H107N5O3.2C36H74N4O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-57-71-67(77)53-61-75(62-54-68(78)72-58-50-46-42-38-34-30-26-22-18-14-10-6-2)65-66-76(63-55-69(79)73-59-51-47-43-39-35-31-27-23-19-15-11-7-3)64-56-70(80)74-60-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-31-34-37-43-55-51(59)40-46-54-47-50-58(48-41-52(60)56-44-38-35-32-29-26-23-20-17-14-11-8-5-2)49-42-53(61)57-45-39-36-33-30-27-24-21-18-15-12-9-6-3;1-3-5-7-9-11-13-15-17-19-21-23-25-30-38-35(41)27-32-40(34-29-37)33-28-36(42)39-31-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-29-39-35(41)27-31-37-33-34-38-32-28-36(42)40-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-66H2,1-4H3,(H,71,77)(H,72,78)(H,73,79)(H,74,80);54H,4-50H2,1-3H3,(H,55,59)(H,56,60)(H,57,61);3-34,37H2,1-2H3,(H,38,41)(H,39,42);37-38H,3-34H2,1-2H3,(H,39,41)(H,40,42).
What are the key properties of 3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide?
3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide has a molecular weight of 3182.43 g/mol, XLogP of 49.16, 187 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide is sourced from PubChem (CID 160990447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).