5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide

C93H158N16O27 — CID 159267540

IUPAC5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide
SMILESCCc1cc(C(=O)N(CC(=O)NCCCCCOC)CC(=O)NCCOCCOC)cc(C(=O)N(CC(=O)NCCOCCOC)CC(=O)NCCOCCOC)c1.CCc1cc(C(=O)N(CC(=O)NCCCNC(=O)CCCCOC)CC(=O)NCCCNC(=O)CCCCOC)cc(C(=O)N(CC(=O)NCCCNC(=O)CCCCOC)CC(=O)NCCCNC(=O)CCCCOC)c1
InChIInChI=1S/C54H92N10O14.C39H66N6O13/c1-6-42-35-43(53(73)63(38-49(69)59-27-15-23-55-45(65)19-7-11-31-75-2)39-50(70)60-28-16-24-56-46(66)20-8-12-32-76-3)37-44(36-42)54(74)64(40-51(71)61-29-17-25-57-47(67)21-9-13-33-77-4)41-52(72)62-30-18-26-58-48(68)22-10-14-34-78-5;1-6-31-24-32(38(50)44(27-34(46)40-10-8-7-9-14-52-2)28-35(47)41-11-15-56-21-18-53-3)26-33(25-31)39(51)45(29-36(48)42-12-16-57-22-19-54-4)30-37(49)43-13-17-58-23-20-55-5/h35-37H,6-34,38-41H2,1-5H3,(H,55,65)(H,56,66)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,61,71)(H,62,72);24-26H,6-23,27-30H2,1-5H3,(H,40,46)(H,41,47)(H,42,48)(H,43,49)
InChIKeyKXHHYWKHIXPOCT-UHFFFAOYSA-N
MW1932.37 g/mol
LogP0.29
Rot. Bonds82

About 5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide

5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide (PubChem CID 159267540) has the molecular formula C93H158N16O27 and a molecular weight of 1932.37 g/mol. Its IUPAC name is 5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide
PubChem CID159267540
Molecular FormulaC93H158N16O27
Molecular Weight1932.37 g/mol
Exact Mass1931.15
IUPAC Name5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide
SMILESCCc1cc(C(=O)N(CC(=O)NCCCCCOC)CC(=O)NCCOCCOC)cc(C(=O)N(CC(=O)NCCOCCOC)CC(=O)NCCOCCOC)c1.CCc1cc(C(=O)N(CC(=O)NCCCNC(=O)CCCCOC)CC(=O)NCCCNC(=O)CCCCOC)cc(C(=O)N(CC(=O)NCCCNC(=O)CCCCOC)CC(=O)NCCCNC(=O)CCCCOC)c1
InChIInChI=1S/C54H92N10O14.C39H66N6O13/c1-6-42-35-43(53(73)63(38-49(69)59-27-15-23-55-45(65)19-7-11-31-75-2)39-50(70)60-28-16-24-56-46(66)20-8-12-32-76-3)37-44(36-42)54(74)64(40-51(71)61-29-17-25-57-47(67)21-9-13-33-77-4)41-52(72)62-30-18-26-58-48(68)22-10-14-34-78-5;1-6-31-24-32(38(50)44(27-34(46)40-10-8-7-9-14-52-2)28-35(47)41-11-15-56-21-18-53-3)26-33(25-31)39(51)45(29-36(48)42-12-16-57-22-19-54-4)30-37(49)43-13-17-58-23-20-55-5/h35-37H,6-34,38-41H2,1-5H3,(H,55,65)(H,56,66)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,61,71)(H,62,72);24-26H,6-23,27-30H2,1-5H3,(H,40,46)(H,41,47)(H,42,48)(H,43,49)
InChIKeyKXHHYWKHIXPOCT-UHFFFAOYSA-N
XLogP0.29
TPSA531.97 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds82
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001932.37
LogP ≤ 50.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

1-N,3-N-bis[1,5-bis(6-methoxyhexylamino)-1,5-dioxopentan-2-yl]-5-ethylbenzene-1,3-dicarboxamide
CID 158781560
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
9-methoxy-N-[2-[2-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]nonanamide
CID 155405230
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N,N'-bis(3-dodecoxypropyl)decanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]dodecanediamide;N,N'-bis[2-(2-hydroxyethoxy)ethyl]tridecanediamide;N,N'-bis(3-methoxypropyl)decanediamide;N,N'-bis(3-methoxypropyl)dodecanediamide;N,N'-bis(3-methoxypropyl)icosanediamide
CID 161275900
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
5-ethyl-3-N-[2-(2-hydroxyethylamino)-2-oxoethyl]-1-N-(5-hydroxy-2-oxopentyl)-1-N,3-N-bis[2-oxo-2-(propylamino)ethyl]benzene-1,3-dicarboxamide
CID 162050221
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
CID 71381103
N',N'-bis[2-[2-[2-[2-[(2-iodoacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide
CID 21059341
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 166090102
N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide
CID 59079215
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide (CID 159267540) is 5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide is CCc1cc(C(=O)N(CC(=O)NCCCCCOC)CC(=O)NCCOCCOC)cc(C(=O)N(CC(=O)NCCOCCOC)CC(=O)NCCOCCOC)c1.CCc1cc(C(=O)N(CC(=O)NCCCNC(=O)CCCCOC)CC(=O)NCCCNC(=O)CCCCOC)cc(C(=O)N(CC(=O)NCCCNC(=O)CCCCOC)CC(=O)NCCCNC(=O)CCCCOC)c1.
What is the InChIKey of 5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide?
The InChIKey is KXHHYWKHIXPOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H92N10O14.C39H66N6O13/c1-6-42-35-43(53(73)63(38-49(69)59-27-15-23-55-45(65)19-7-11-31-75-2)39-50(70)60-28-16-24-56-46(66)20-8-12-32-76-3)37-44(36-42)54(74)64(40-51(71)61-29-17-25-57-47(67)21-9-13-33-77-4)41-52(72)62-30-18-26-58-48(68)22-10-14-34-78-5;1-6-31-24-32(38(50)44(27-34(46)40-10-8-7-9-14-52-2)28-35(47)41-11-15-56-21-18-53-3)26-33(25-31)39(51)45(29-36(48)42-12-16-57-22-19-54-4)30-37(49)43-13-17-58-23-20-55-5/h35-37H,6-34,38-41H2,1-5H3,(H,55,65)(H,56,66)(H,57,67)(H,58,68)(H,59,69)(H,60,70)(H,61,71)(H,62,72);24-26H,6-23,27-30H2,1-5H3,(H,40,46)(H,41,47)(H,42,48)(H,43,49).
What are the key properties of 5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide?
5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide has a molecular weight of 1932.37 g/mol, XLogP of 0.29, 82 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 159267540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).