bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate

C251H495N7O24 — CID 164996877

IUPACbis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate
SMILESCCCCC(CCCC)CC(=O)OCCCCCCCCCCC(CCCCCCCCCCOC(=O)CC(CCCC)CCCC)NC(=O)CN(C)C(C)C.CCCCC(CCCC)CCOC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCCC(CCCC)CCCC)CCN1CCN(C)CC1.CCCCC(CCCC)CCOC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCCC(CCCC)CCCC)OCCCCN(C)C(C)C.CCCCC(CCCC)CCOC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCCC(CCCC)CCCC)OCCCCN(C)CC.CCCCC(CCCC)CCOC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCCC(CCCC)CCCC)OCCCCN(CC)CC
InChIInChI=1S/2C51H101NO5.C50H98N2O4.C50H99NO5.C49H96N2O5/c1-8-12-32-47(33-13-9-2)40-44-56-50(53)38-28-24-20-16-18-22-26-36-49(55-43-31-30-42-52(7)46(5)6)37-27-23-19-17-21-25-29-39-51(54)57-45-41-48(34-14-10-3)35-15-11-4;1-7-13-33-47(34-14-8-2)41-45-56-50(53)39-29-25-21-17-19-23-27-37-49(55-44-32-31-43-52(11-5)12-6)38-28-24-20-18-22-26-30-40-51(54)57-46-42-48(35-15-9-3)36-16-10-4;1-6-10-28-47(29-11-7-2)37-44-55-49(53)34-26-22-18-14-16-20-24-32-46(36-39-52-42-40-51(5)41-43-52)33-25-21-17-15-19-23-27-35-50(54)56-45-38-48(30-12-8-3)31-13-9-4;1-7-12-32-46(33-13-8-2)40-44-55-49(52)38-28-24-20-16-18-22-26-36-48(54-43-31-30-42-51(6)11-5)37-27-23-19-17-21-25-29-39-50(53)56-45-41-47(34-14-9-3)35-15-10-4;1-8-12-32-44(33-13-9-2)40-48(53)55-38-30-26-22-18-16-20-24-28-36-46(50-47(52)42-51(7)43(5)6)37-29-25-21-17-19-23-27-31-39-56-49(54)41-45(34-14-10-3)35-15-11-4/h46-49H,8-45H2,1-7H3;47-49H,7-46H2,1-6H3;46-48H,6-45H2,1-5H3;46-48H,7-45H2,1-6H3;43-46H,8-42H2,1-7H3,(H,50,52)
InChIKeyHRGCYSAWWNHJJK-UHFFFAOYSA-N
MW3995.75 g/mol
LogP73.55
Rot. Bonds219

About bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate

bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate (PubChem CID 164996877) has the molecular formula C251H495N7O24 and a molecular weight of 3995.75 g/mol. Its IUPAC name is bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate.

Molecular Properties

Compound Namebis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate
PubChem CID164996877
Molecular FormulaC251H495N7O24
Molecular Weight3995.75 g/mol
Exact Mass3992.77
IUPAC Namebis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate
SMILESCCCCC(CCCC)CC(=O)OCCCCCCCCCCC(CCCCCCCCCCOC(=O)CC(CCCC)CCCC)NC(=O)CN(C)C(C)C.CCCCC(CCCC)CCOC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCCC(CCCC)CCCC)CCN1CCN(C)CC1.CCCCC(CCCC)CCOC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCCC(CCCC)CCCC)OCCCCN(C)C(C)C.CCCCC(CCCC)CCOC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCCC(CCCC)CCCC)OCCCCN(C)CC.CCCCC(CCCC)CCOC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCCC(CCCC)CCCC)OCCCCN(CC)CC
InChIInChI=1S/2C51H101NO5.C50H98N2O4.C50H99NO5.C49H96N2O5/c1-8-12-32-47(33-13-9-2)40-44-56-50(53)38-28-24-20-16-18-22-26-36-49(55-43-31-30-42-52(7)46(5)6)37-27-23-19-17-21-25-29-39-51(54)57-45-41-48(34-14-10-3)35-15-11-4;1-7-13-33-47(34-14-8-2)41-45-56-50(53)39-29-25-21-17-19-23-27-37-49(55-44-32-31-43-52(11-5)12-6)38-28-24-20-18-22-26-30-40-51(54)57-46-42-48(35-15-9-3)36-16-10-4;1-6-10-28-47(29-11-7-2)37-44-55-49(53)34-26-22-18-14-16-20-24-32-46(36-39-52-42-40-51(5)41-43-52)33-25-21-17-15-19-23-27-35-50(54)56-45-38-48(30-12-8-3)31-13-9-4;1-7-12-32-46(33-13-8-2)40-44-55-49(52)38-28-24-20-16-18-22-26-36-48(54-43-31-30-42-51(6)11-5)37-27-23-19-17-21-25-29-39-50(53)56-45-41-47(34-14-9-3)35-15-10-4;1-8-12-32-44(33-13-9-2)40-48(53)55-38-30-26-22-18-16-20-24-28-36-46(50-47(52)42-51(7)43(5)6)37-29-25-21-17-19-23-27-31-39-56-49(54)41-45(34-14-10-3)35-15-11-4/h46-49H,8-45H2,1-7H3;47-49H,7-46H2,1-6H3;46-48H,6-45H2,1-5H3;46-48H,7-45H2,1-6H3;43-46H,8-42H2,1-7H3,(H,50,52)
InChIKeyHRGCYSAWWNHJJK-UHFFFAOYSA-N
XLogP73.55
TPSA339.23 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds219
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003995.75
LogP ≤ 573.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate with MolForge

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Related Compounds

bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate
CID 165103891
bis(3-pentyloctyl) 9-[4-(diethylamino)butoxy]heptadecanedioate;bis(3-pentyloctyl) 9-[4-(4-methylpiperazin-1-yl)butoxy]heptadecanedioate;bis(3-pentyloctyl) 9-[4-[methyl(propan-2-yl)amino]butoxy]heptadecanedioate;bis(3-pentyloctyl) 9-(2-pyrrolidin-1-ylacetyl)oxyheptadecanedioate;bis(3-pentyloctyl) 9-(4-pyrrolidin-1-ylbutanoyloxy)heptadecanedioate;[17-(3-pentyloctanoyloxy)-9-(4-pyrrolidin-1-ylbutoxy)heptadecyl] 3-pentyloctanoate
CID 164971354
15-O-[19-[6-butyl-7-[2-[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecoxy]-2-oxoethyl]-3-pentyl-5-propyldodecanoyl]oxy-10-[2-(4-methylpiperazin-1-yl)ethyl]nonadecyl] 1-O-[10-[4-[methyl(propan-2-yl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 7-methyl-3,13-dipentylpentadecanedioate
CID 130330085
bis(3-pentyloctyl) 11-[2-(diethylamino)ethyl]henicosanedioate;bis(3-pentyloctyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-pentyloctyl) 11-[2-[methyl(propan-2-yl)amino]ethyl]henicosanedioate;bis(3-pentyloctyl) 11-(2-morpholin-4-ylethyl)henicosanedioate;bis(3-pentyloctyl) 11-(3-pyrrolidin-1-ylpropoxymethyl)henicosanedioate;[11-[3-(dimethylamino)propanoylamino]-21-(3-pentyloctanoyloxy)henicosyl] 3-pentyloctanoate
CID 165018155
15-O-[11-[[ethyl(methyl)amino]methyl]-21-(3-pentyloctanoyloxy)henicosyl] 1-O-[21-[6-ethyl-7-methyl-11-[2-[11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]-21-oxo-21-(3-pentyloctoxy)henicosanoyl]oxyethyl]-3-pentylhexadecanoyl]oxy-11-[(4-methylpiperazin-1-yl)methyl]henicosyl] 7-methyl-3,13-dipentylpentadecanedioate
CID 130329977
bis(3-pentyloctyl) 9-[(4-methylpiperazin-1-yl)methyl]heptadecanedioate;bis(3-pentyloctyl) 9-(4-morpholin-4-ylbutoxy)heptadecanedioate;bis(3-pentyloctyl) 9-(3-morpholin-4-ylpropoxy)heptadecanedioate;bis(3-pentyloctyl) 9-(3-pyrrolidin-1-ylpropoxy)heptadecanedioate;[9-[4-(diethylamino)butoxy]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[4-(4-methylpiperazin-1-yl)butoxy]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate
CID 162151356
bis(3-pentyloctyl) 10-[2-(diethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[2-[ethyl(methyl)amino]ethyl]nonadecanedioate;bis(3-pentyloctyl) 9-[2-[3-(4-methylpiperazin-1-yl)propoxy]-2-oxoethyl]heptadecanedioate;bis(3-pentyloctyl) 9-[2-oxo-2-(2-pyrrolidin-1-ylethoxy)ethyl]heptadecanedioate;bis(3-pentyloctyl) 9-[2-oxo-2-(3-pyrrolidin-1-ylpropoxy)ethyl]heptadecanedioate
CID 165058108
bis(3-pentyloctyl) 10-(4-piperidin-1-ylbutanoyloxy)nonadecanedioate;bis(3-pentyloctyl) 10-(2-pyrrolidin-1-ylacetyl)oxynonadecanedioate;[9-[4-(diethylamino)butoxymethyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propoxymethyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[methyl(propan-2-yl)amino]propoxymethyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate
CID 165101098
bis(3-pentyloctyl) 9-[3-(dimethylamino)propanoylamino]heptadecanedioate;bis(3-pentyloctyl) 9-[[2-[ethyl(methyl)amino]acetyl]amino]heptadecanedioate;bis(3-pentyloctyl) 9-[[2-[methyl(propan-2-yl)amino]acetyl]amino]heptadecanedioate;bis(3-pentyloctyl) 9-(3-morpholin-4-ylpropoxymethyl)heptadecanedioate;bis(3-pentyloctyl) 9-(3-pyrrolidin-1-ylpropoxymethyl)heptadecanedioate;[9-[[2-(dimethylamino)acetyl]amino]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate
CID 164952684
bis(3-pentyloctyl) 9-[4-(diethylamino)butoxymethyl]heptadecanedioate;bis(3-pentyloctyl) 9-[3-(4-methylpiperazin-1-yl)propoxymethyl]heptadecanedioate;bis(3-pentyloctyl) 9-[3-[methyl(propan-2-yl)amino]propoxymethyl]heptadecanedioate;bis(3-pentyloctyl) 10-(4-morpholin-4-ylbutanoyloxy)nonadecanedioate;bis(3-pentyloctyl) 9-(3-piperidin-1-ylpropoxymethyl)heptadecanedioate
CID 165064116
[9-[3-(dimethylamino)propoxy]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propoxy]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[[methyl(propan-2-yl)amino]methyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[methyl(propan-2-yl)amino]propoxy]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropoxy)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate
CID 165056284
2-[1-[1,15-bis[1-(3-pentyloctoxy)ethoxy]pentadecan-8-yloxy]ethoxy]-N,N-dimethylethanamine;1-O,19-O-bis(3-pentyloctyl) 10-O-(3-piperidin-1-ylpropyl) nonadecane-1,10,19-tricarboxylate;bis(3-pentyloctyl) 9-(2-pyrrolidin-1-ylethoxycarbonyloxy)heptadecanedioate;10-O-[3-(diethylamino)propyl] 1-O,19-O-bis(3-pentyloctyl) nonadecane-1,10,19-tricarboxylate;10-O-[3-(4-methylpiperazin-1-yl)propyl] 1-O,19-O-bis(3-pentyloctyl) nonadecane-1,10,19-tricarboxylate;3-pyrrolidin-1-ylpropyl 12-(3-pentyloctanoyloxy)-2-[10-(3-pentyloctanoyloxy)decyl]dodecanoate
CID 165013627

Frequently Asked Questions

What is the IUPAC name of bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate?
The IUPAC name of bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate (CID 164996877) is bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate.
What is the SMILES notation for bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate?
The canonical SMILES for bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate is CCCCC(CCCC)CC(=O)OCCCCCCCCCCC(CCCCCCCCCCOC(=O)CC(CCCC)CCCC)NC(=O)CN(C)C(C)C.CCCCC(CCCC)CCOC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCCC(CCCC)CCCC)CCN1CCN(C)CC1.CCCCC(CCCC)CCOC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCCC(CCCC)CCCC)OCCCCN(C)C(C)C.CCCCC(CCCC)CCOC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCCC(CCCC)CCCC)OCCCCN(C)CC.CCCCC(CCCC)CCOC(=O)CCCCCCCCCC(CCCCCCCCCC(=O)OCCC(CCCC)CCCC)OCCCCN(CC)CC.
What is the InChIKey of bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate?
The InChIKey is HRGCYSAWWNHJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H101NO5.C50H98N2O4.C50H99NO5.C49H96N2O5/c1-8-12-32-47(33-13-9-2)40-44-56-50(53)38-28-24-20-16-18-22-26-36-49(55-43-31-30-42-52(7)46(5)6)37-27-23-19-17-21-25-29-39-51(54)57-45-41-48(34-14-10-3)35-15-11-4;1-7-13-33-47(34-14-8-2)41-45-56-50(53)39-29-25-21-17-19-23-27-37-49(55-44-32-31-43-52(11-5)12-6)38-28-24-20-18-22-26-30-40-51(54)57-46-42-48(35-15-9-3)36-16-10-4;1-6-10-28-47(29-11-7-2)37-44-55-49(53)34-26-22-18-14-16-20-24-32-46(36-39-52-42-40-51(5)41-43-52)33-25-21-17-15-19-23-27-35-50(54)56-45-38-48(30-12-8-3)31-13-9-4;1-7-12-32-46(33-13-8-2)40-44-55-49(52)38-28-24-20-16-18-22-26-36-48(54-43-31-30-42-51(6)11-5)37-27-23-19-17-21-25-29-39-50(53)56-45-41-47(34-14-9-3)35-15-10-4;1-8-12-32-44(33-13-9-2)40-48(53)55-38-30-26-22-18-16-20-24-28-36-46(50-47(52)42-51(7)43(5)6)37-29-25-21-17-19-23-27-31-39-56-49(54)41-45(34-14-10-3)35-15-11-4/h46-49H,8-45H2,1-7H3;47-49H,7-46H2,1-6H3;46-48H,6-45H2,1-5H3;46-48H,7-45H2,1-6H3;43-46H,8-42H2,1-7H3,(H,50,52).
What are the key properties of bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate?
bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate has a molecular weight of 3995.75 g/mol, XLogP of 73.55, 219 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-butylheptyl) 11-[4-(diethylamino)butoxy]henicosanedioate;bis(3-butylheptyl) 11-[4-[ethyl(methyl)amino]butoxy]henicosanedioate;bis(3-butylheptyl) 11-[2-(4-methylpiperazin-1-yl)ethyl]henicosanedioate;bis(3-butylheptyl) 11-[4-[methyl(propan-2-yl)amino]butoxy]henicosanedioate;[21-(3-butylheptanoyloxy)-11-[[2-[methyl(propan-2-yl)amino]acetyl]amino]henicosyl] 3-butylheptanoate is sourced from PubChem (CID 164996877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).