methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate

C216H429N9O24 — CID 158409373

IUPACmethane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate
SMILESC.CCCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCCC)CCN(CCC(=O)OCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCN(CCN)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCNCCC.CCCCCCCCCCCCCCOC(=O)CCNCCN(CCC(=O)OCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCNCCNCCC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C70H136N2O8.C53H104N2O6.2C36H72N2O4.C20H41NO2.CH4/c1-5-9-13-17-21-25-29-33-37-41-45-49-63-77-67(73)53-57-71(58-54-68(74)78-64-50-46-42-38-34-30-26-22-18-14-10-6-2)61-62-72(59-55-69(75)79-65-51-47-43-39-35-31-27-23-19-15-11-7-3)60-56-70(76)80-66-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-31-34-37-48-59-51(56)40-43-54-44-47-55(45-41-52(57)60-49-38-35-32-29-26-23-20-17-14-11-8-5-2)46-42-53(58)61-50-39-36-33-30-27-24-21-18-15-12-9-6-3;1-3-5-7-9-11-13-15-17-19-21-23-25-33-41-35(39)27-30-38(32-29-37)31-28-36(40)42-34-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-33-41-35(39)27-29-37-31-32-38-30-28-36(40)42-34-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-20(22)16-18-21-17-4-2;/h5-66H2,1-4H3;54H,4-50H2,1-3H3;3-34,37H2,1-2H3;37-38H,3-34H2,1-2H3;21H,3-19H2,1-2H3;1H4
InChIKeyGZCKRPQTXJGGIP-UHFFFAOYSA-N
MW3536.85 g/mol
LogP60.12
Rot. Bonds205

About methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate

methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate (PubChem CID 158409373) has the molecular formula C216H429N9O24 and a molecular weight of 3536.85 g/mol. Its IUPAC name is methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate.

Molecular Properties

Compound Namemethane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate
PubChem CID158409373
Molecular FormulaC216H429N9O24
Molecular Weight3536.85 g/mol
Exact Mass3534.26
IUPAC Namemethane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate
SMILESC.CCCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCCC)CCN(CCC(=O)OCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCN(CCN)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCNCCC.CCCCCCCCCCCCCCOC(=O)CCNCCN(CCC(=O)OCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCNCCNCCC(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C70H136N2O8.C53H104N2O6.2C36H72N2O4.C20H41NO2.CH4/c1-5-9-13-17-21-25-29-33-37-41-45-49-63-77-67(73)53-57-71(58-54-68(74)78-64-50-46-42-38-34-30-26-22-18-14-10-6-2)61-62-72(59-55-69(75)79-65-51-47-43-39-35-31-27-23-19-15-11-7-3)60-56-70(76)80-66-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-31-34-37-48-59-51(56)40-43-54-44-47-55(45-41-52(57)60-49-38-35-32-29-26-23-20-17-14-11-8-5-2)46-42-53(58)61-50-39-36-33-30-27-24-21-18-15-12-9-6-3;1-3-5-7-9-11-13-15-17-19-21-23-25-33-41-35(39)27-30-38(32-29-37)31-28-36(40)42-34-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-33-41-35(39)27-29-37-31-32-38-30-28-36(40)42-34-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-20(22)16-18-21-17-4-2;/h5-66H2,1-4H3;54H,4-50H2,1-3H3;3-34,37H2,1-2H3;37-38H,3-34H2,1-2H3;21H,3-19H2,1-2H3;1H4
InChIKeyGZCKRPQTXJGGIP-UHFFFAOYSA-N
XLogP60.12
TPSA402.70 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds205
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003536.85
LogP ≤ 560.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate with MolForge

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Related Compounds

dodecyl 6-[(3-dodecoxy-3-oxopropyl)-[2-[(3-dodecoxy-3-oxopropyl)-[2-[(3-dodecoxy-3-oxopropyl)amino]ethyl]amino]ethyl]amino]hexanoate
CID 58105644
tridecyl 3-[2-aminoethyl-[2-(diethylamino)ethyl]amino]propanoate;tridecyl 3-[2-[2-(diethylamino)ethylamino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethylamino]hexanoate;tridecyl 3-[2-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]ethyl-(3-oxo-3-tridecoxypropyl)amino]propanoate;tridecyl 6-[2-(diethylamino)ethyl-(3-oxo-3-tridecoxypropyl)amino]hexanoate
CID 158574780
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
ethyl 3-[2-[2-[2-aminoethyl-(3-ethoxy-3-oxopropyl)amino]ethylamino]ethylamino]propanoate
CID 143379175
methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate
CID 123508002
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
2-[3-[2-[bis[2-[bis[3-[2-(2-octylsulfanylpropanoyloxy)ethoxy]-3-oxopropyl]amino]ethyl]amino]ethylamino]propanoyloxy]ethyl 2-octylsulfanylpropanoate
CID 171432365
methyl 3-[2-[2-[2-aminoethyl(propyl)amino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate;methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate;methyl 3-[2-[2-(dipropylamino)ethyl-methylamino]ethylamino]propanoate;methyl 3-[2-[2-[2-[(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethylamino]propanoate
CID 158496607
2-[3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]propanoyloxy]ethyl 3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]propanoate
CID 168851388
tridecyl 3-[2-[bis[2-[methyl-(3-oxo-3-tridecoxypropyl)amino]ethyl]amino]ethyl-methylamino]propanoate
CID 73389311
methane;methyl 3-[2-aminoethyl(propyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-methylamino]propanoate;tetradecyl 3-[2-(methylamino)ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 6-(methylamino)hexanoate;tetradecyl 6-[methyl-(3-oxo-3-tetradecoxypropyl)amino]hexanoate
CID 158814150
2-[bis(3-butoxy-3-oxopropyl)amino]ethyl-[2-[2-[bis(3-butoxy-3-oxopropyl)amino]ethylamino]ethyl]-bis(3-butoxy-3-oxopropyl)azanium
CID 91049974

Frequently Asked Questions

What is the IUPAC name of methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate?
The IUPAC name of methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate (CID 158409373) is methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate.
What is the SMILES notation for methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate?
The canonical SMILES for methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate is C.CCCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCCC)CCN(CCC(=O)OCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCN(CCN)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCNCCC.CCCCCCCCCCCCCCOC(=O)CCNCCN(CCC(=O)OCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCC.CCCCCCCCCCCCCCOC(=O)CCNCCNCCC(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate?
The InChIKey is GZCKRPQTXJGGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H136N2O8.C53H104N2O6.2C36H72N2O4.C20H41NO2.CH4/c1-5-9-13-17-21-25-29-33-37-41-45-49-63-77-67(73)53-57-71(58-54-68(74)78-64-50-46-42-38-34-30-26-22-18-14-10-6-2)61-62-72(59-55-69(75)79-65-51-47-43-39-35-31-27-23-19-15-11-7-3)60-56-70(76)80-66-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-31-34-37-48-59-51(56)40-43-54-44-47-55(45-41-52(57)60-49-38-35-32-29-26-23-20-17-14-11-8-5-2)46-42-53(58)61-50-39-36-33-30-27-24-21-18-15-12-9-6-3;1-3-5-7-9-11-13-15-17-19-21-23-25-33-41-35(39)27-30-38(32-29-37)31-28-36(40)42-34-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-33-41-35(39)27-29-37-31-32-38-30-28-36(40)42-34-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-19-23-20(22)16-18-21-17-4-2;/h5-66H2,1-4H3;54H,4-50H2,1-3H3;3-34,37H2,1-2H3;37-38H,3-34H2,1-2H3;21H,3-19H2,1-2H3;1H4.
What are the key properties of methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate?
methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate has a molecular weight of 3536.85 g/mol, XLogP of 60.12, 205 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tetradecyl 3-[2-aminoethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-[2-[bis(3-oxo-3-tetradecoxypropyl)amino]ethyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate;tetradecyl 3-[2-[(3-oxo-3-tetradecoxypropyl)amino]ethylamino]propanoate;tetradecyl 3-(propylamino)propanoate is sourced from PubChem (CID 158409373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).