N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide

C192H306N18O75 — CID 161067438

IUPACN-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide
SMILESC=CC(=O)CCC(O)COC(C)COCC(O)CNC(=O)C=C.C=CC(=O)CCC(O)COCC(CC)(COCC(O)CNC(=O)C=C)COCC(O)CNC(=O)C=C.C=CC(=O)CCC(O)COCC(COCC(O)CCC(=O)C=C)(COCC(O)CNC(=O)C=C)COCC(O)CNC(=O)C=C.C=CC(=O)CCC(O)COCC(COCC(O)CNC(=O)C=C)OCC(O)CCC(=O)C=C.C=CC(=O)CCC(O)COCCCCOCC(O)CNC(=O)C=C.C=CC(=O)CCCCOCC(O)C(O)COCCCNC(=O)C=C.C=CC(=O)CCCOCC(O)C(O)COCCNC(=O)C=C.C=CC(=O)CCOCC(O)C(O)COCNC(=O)C=C.C=CC(=O)NCC(O)Cn1c(=O)n(CC(O)CNC(=O)C=C)c(=O)n(CC(O)CNC(=O)C=C)c1=O.O=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C31H50N2O12.C25H42N2O9.C23H37NO9.C21H30N6O9.2C17H29NO6.C16H27NO6.C15H25NO6.C14H16N2O6.C13H21NO6/c1-5-23(34)9-11-25(36)15-42-19-31(20-43-16-26(37)12-10-24(35)6-2,21-44-17-27(38)13-32-29(40)7-3)22-45-18-28(39)14-33-30(41)8-4;1-5-19(28)9-10-20(29)13-34-16-25(8-4,17-35-14-21(30)11-26-23(32)6-2)18-36-15-22(31)12-27-24(33)7-3;1-4-17(25)7-9-19(27)12-31-15-22(33-14-20(28)10-8-18(26)5-2)16-32-13-21(29)11-24-23(30)6-3;1-4-16(31)22-7-13(28)10-25-19(34)26(11-14(29)8-23-17(32)5-2)21(36)27(20(25)35)12-15(30)9-24-18(33)6-3;1-3-14(19)7-8-15(20)12-23-9-5-6-10-24-13-16(21)11-18-17(22)4-2;1-3-14(19)8-5-6-10-23-12-15(20)16(21)13-24-11-7-9-18-17(22)4-2;1-4-13(18)6-7-14(19)11-23-12(3)9-22-10-15(20)8-17-16(21)5-2;1-3-12(17)6-5-8-21-10-13(18)14(19)11-22-9-7-16-15(20)4-2;17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20;1-3-10(15)5-6-19-7-11(16)12(17)8-20-9-14-13(18)4-2/h5-8,25-28,36-39H,1-4,9-22H2,(H,32,40)(H,33,41);5-7,20-22,29-31H,1-3,8-18H2,4H3,(H,26,32)(H,27,33);4-6,19-22,27-29H,1-3,7-16H2,(H,24,30);4-6,13-15,28-30H,1-3,7-12H2,(H,22,31)(H,23,32)(H,24,33);2*3-4,15-16,20-21H,1-2,5-13H2,(H,18,22);4-5,12,14-15,19-20H,1-2,6-11H2,3H3,(H,17,21);3-4,13-14,18-19H,1-2,5-11H2,(H,16,20);1-4H,5-10H2;3-4,11-12,16-17H,1-2,5-9H2,(H,14,18)
InChIKeyUEFCCQFCYDQWRI-UHFFFAOYSA-N
MW4066.61 g/mol
LogP-7.89
Rot. Bonds171

About N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide

N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide (PubChem CID 161067438) has the molecular formula C192H306N18O75 and a molecular weight of 4066.61 g/mol. Its IUPAC name is N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide
PubChem CID161067438
Molecular FormulaC192H306N18O75
Molecular Weight4066.61 g/mol
Exact Mass4064.07
IUPAC NameN-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide
SMILESC=CC(=O)CCC(O)COC(C)COCC(O)CNC(=O)C=C.C=CC(=O)CCC(O)COCC(CC)(COCC(O)CNC(=O)C=C)COCC(O)CNC(=O)C=C.C=CC(=O)CCC(O)COCC(COCC(O)CCC(=O)C=C)(COCC(O)CNC(=O)C=C)COCC(O)CNC(=O)C=C.C=CC(=O)CCC(O)COCC(COCC(O)CNC(=O)C=C)OCC(O)CCC(=O)C=C.C=CC(=O)CCC(O)COCCCCOCC(O)CNC(=O)C=C.C=CC(=O)CCCCOCC(O)C(O)COCCCNC(=O)C=C.C=CC(=O)CCCOCC(O)C(O)COCCNC(=O)C=C.C=CC(=O)CCOCC(O)C(O)COCNC(=O)C=C.C=CC(=O)NCC(O)Cn1c(=O)n(CC(O)CNC(=O)C=C)c(=O)n(CC(O)CNC(=O)C=C)c1=O.O=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C31H50N2O12.C25H42N2O9.C23H37NO9.C21H30N6O9.2C17H29NO6.C16H27NO6.C15H25NO6.C14H16N2O6.C13H21NO6/c1-5-23(34)9-11-25(36)15-42-19-31(20-43-16-26(37)12-10-24(35)6-2,21-44-17-27(38)13-32-29(40)7-3)22-45-18-28(39)14-33-30(41)8-4;1-5-19(28)9-10-20(29)13-34-16-25(8-4,17-35-14-21(30)11-26-23(32)6-2)18-36-15-22(31)12-27-24(33)7-3;1-4-17(25)7-9-19(27)12-31-15-22(33-14-20(28)10-8-18(26)5-2)16-32-13-21(29)11-24-23(30)6-3;1-4-16(31)22-7-13(28)10-25-19(34)26(11-14(29)8-23-17(32)5-2)21(36)27(20(25)35)12-15(30)9-24-18(33)6-3;1-3-14(19)7-8-15(20)12-23-9-5-6-10-24-13-16(21)11-18-17(22)4-2;1-3-14(19)8-5-6-10-23-12-15(20)16(21)13-24-11-7-9-18-17(22)4-2;1-4-13(18)6-7-14(19)11-23-12(3)9-22-10-15(20)8-17-16(21)5-2;1-3-12(17)6-5-8-21-10-13(18)14(19)11-22-9-7-16-15(20)4-2;17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20;1-3-10(15)5-6-19-7-11(16)12(17)8-20-9-14-13(18)4-2/h5-8,25-28,36-39H,1-4,9-22H2,(H,32,40)(H,33,41);5-7,20-22,29-31H,1-3,8-18H2,4H3,(H,26,32)(H,27,33);4-6,19-22,27-29H,1-3,7-16H2,(H,24,30);4-6,13-15,28-30H,1-3,7-12H2,(H,22,31)(H,23,32)(H,24,33);2*3-4,15-16,20-21H,1-2,5-13H2,(H,18,22);4-5,12,14-15,19-20H,1-2,6-11H2,3H3,(H,17,21);3-4,13-14,18-19H,1-2,5-11H2,(H,16,20);1-4H,5-10H2;3-4,11-12,16-17H,1-2,5-9H2,(H,14,18)
InChIKeyUEFCCQFCYDQWRI-UHFFFAOYSA-N
XLogP-7.89
TPSA1358.11 Ų
H-Bond Donors36
H-Bond Acceptors78
Rotatable Bonds171
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004066.61
LogP ≤ 5-7.89
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1078

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide with MolForge

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Related Compounds

N-[[5-[2,3-bis[2-hydroxy-5-[(prop-2-enoylamino)methoxy]pentoxy]propoxy]-4-hydroxypentoxy]methyl]prop-2-enamide;N-[[3-[2-[2,2-bis[2-[2-hydroxy-3-[(prop-2-enoylamino)methoxy]propoxy]ethoxymethyl]butoxy]ethoxy]-2-hydroxypropoxy]methyl]prop-2-enamide;ethene;N-[2-[2-(hydroperoxymethyl)-3-[2-[(prop-2-enoylamino)methoxy]ethoxy]-2-[2-[(prop-2-enoylamino)methoxy]ethoxymethyl]propoxy]ethoxymethyl]prop-2-enamide
CID 157199085
N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide
CID 58402367
N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;N-(1,2-dihydroxy-4-oxohex-5-enyl)prop-2-enamide;N-(2,3-dihydroxy-6-oxooct-7-enyl)prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-(prop-2-enoylamino)propyl]prop-2-enamide;N-(2-methyl-4-oxohex-5-enyl)prop-2-enamide;N-[3-[2-(5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide;N-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethyl]prop-2-enamide;N-(4-oxohex-5-enyl)prop-2-enamide;N-[3-[2-[2-[3-(prop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;N-[3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 157343347
N-[2-hydroxy-3-[3-(2-hydroxy-5-oxohept-6-enoxy)-2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]propoxy]propyl]prop-2-enamide
CID 58444874
N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide
CID 58402357
N-[[2-(3-oxopent-4-enoxymethyl)-2-[[2-(3-oxopent-4-enoxymethyl)-2-[(prop-2-enoylamino)methoxymethyl]butoxy]methyl]butoxy]methyl]prop-2-enamide
CID 157227939
N-[2-[3-[2,3-bis[3-[2-(ethenylsulfonylamino)ethoxy]-2-hydroxypropoxy]propoxy]-2-hydroxypropoxy]ethyl]ethenesulfonamide;N-(2-hydroxyethyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one
CID 158210689
N-[3-[2-(5-oxohept-6-enoxymethyl)-3-[3-(prop-2-enoylamino)propoxy]-2-[3-(prop-2-enoylamino)propoxymethyl]propoxy]propyl]prop-2-enamide;N-[3-[(2S,3R,4R,5R)-6-(5-oxohept-6-enoxy)-2,3,4,5-tetrakis[3-(prop-2-enoylamino)propoxy]hexoxy]propyl]prop-2-enamide;N-[3-[(2R,3R,4R,5R)-6-(5-oxohept-6-enoxy)-2,3,4,5-tetrakis[3-(prop-2-enoylamino)propoxy]hexoxy]propyl]prop-2-enamide
CID 158869806
N-[[4-[2,2-bis[[4-hydroxy-3-[(prop-2-enoylamino)methoxy]butoxy]methyl]butoxy]-2-hydroxybutoxy]methyl]prop-2-enamide
CID 58444873
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2,2-bis[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]methyl]-2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155906844
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[1-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]propoxy]ethoxy]propan-2-yl]propanamide;methane
CID 158223796
(2S)-2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-N-[3-[4-[3-[3-[[(Z)-docos-13-enoyl]amino]propoxy]propylamino]-4-oxobutoxy]propyl]-N'-[2-[4-[3-[3-(hexadecanoylamino)propoxy]propylamino]-4-oxobutoxy]ethyl]pentanediamide
CID 171591983

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide?
The IUPAC name of N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide (CID 161067438) is N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide is C=CC(=O)CCC(O)COC(C)COCC(O)CNC(=O)C=C.C=CC(=O)CCC(O)COCC(CC)(COCC(O)CNC(=O)C=C)COCC(O)CNC(=O)C=C.C=CC(=O)CCC(O)COCC(COCC(O)CCC(=O)C=C)(COCC(O)CNC(=O)C=C)COCC(O)CNC(=O)C=C.C=CC(=O)CCC(O)COCC(COCC(O)CNC(=O)C=C)OCC(O)CCC(=O)C=C.C=CC(=O)CCC(O)COCCCCOCC(O)CNC(=O)C=C.C=CC(=O)CCCCOCC(O)C(O)COCCCNC(=O)C=C.C=CC(=O)CCCOCC(O)C(O)COCCNC(=O)C=C.C=CC(=O)CCOCC(O)C(O)COCNC(=O)C=C.C=CC(=O)NCC(O)Cn1c(=O)n(CC(O)CNC(=O)C=C)c(=O)n(CC(O)CNC(=O)C=C)c1=O.O=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide?
The InChIKey is UEFCCQFCYDQWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50N2O12.C25H42N2O9.C23H37NO9.C21H30N6O9.2C17H29NO6.C16H27NO6.C15H25NO6.C14H16N2O6.C13H21NO6/c1-5-23(34)9-11-25(36)15-42-19-31(20-43-16-26(37)12-10-24(35)6-2,21-44-17-27(38)13-32-29(40)7-3)22-45-18-28(39)14-33-30(41)8-4;1-5-19(28)9-10-20(29)13-34-16-25(8-4,17-35-14-21(30)11-26-23(32)6-2)18-36-15-22(31)12-27-24(33)7-3;1-4-17(25)7-9-19(27)12-31-15-22(33-14-20(28)10-8-18(26)5-2)16-32-13-21(29)11-24-23(30)6-3;1-4-16(31)22-7-13(28)10-25-19(34)26(11-14(29)8-23-17(32)5-2)21(36)27(20(25)35)12-15(30)9-24-18(33)6-3;1-3-14(19)7-8-15(20)12-23-9-5-6-10-24-13-16(21)11-18-17(22)4-2;1-3-14(19)8-5-6-10-23-12-15(20)16(21)13-24-11-7-9-18-17(22)4-2;1-4-13(18)6-7-14(19)11-23-12(3)9-22-10-15(20)8-17-16(21)5-2;1-3-12(17)6-5-8-21-10-13(18)14(19)11-22-9-7-16-15(20)4-2;17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20;1-3-10(15)5-6-19-7-11(16)12(17)8-20-9-14-13(18)4-2/h5-8,25-28,36-39H,1-4,9-22H2,(H,32,40)(H,33,41);5-7,20-22,29-31H,1-3,8-18H2,4H3,(H,26,32)(H,27,33);4-6,19-22,27-29H,1-3,7-16H2,(H,24,30);4-6,13-15,28-30H,1-3,7-12H2,(H,22,31)(H,23,32)(H,24,33);2*3-4,15-16,20-21H,1-2,5-13H2,(H,18,22);4-5,12,14-15,19-20H,1-2,6-11H2,3H3,(H,17,21);3-4,13-14,18-19H,1-2,5-11H2,(H,16,20);1-4H,5-10H2;3-4,11-12,16-17H,1-2,5-9H2,(H,14,18).
What are the key properties of N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide?
N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide has a molecular weight of 4066.61 g/mol, XLogP of -7.89, 171 rotatable bonds, 36 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]-3-[2-hydroxy-3-(prop-2-enoylamino)propoxy]propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-bis(2-hydroxy-5-oxohept-6-enoxy)propoxy]-2-hydroxypropyl]prop-2-enamide;N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[3-[2,3-dihydroxy-4-(5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-[2,3-dihydroxy-4-(4-oxohex-5-enoxy)butoxy]ethyl]prop-2-enamide;N-[[2,3-dihydroxy-4-(3-oxopent-4-enoxy)butoxy]methyl]prop-2-enamide;1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide;N-[2-hydroxy-3-[2-(2-hydroxy-5-oxohept-6-enoxy)propoxy]propyl]prop-2-enamide is sourced from PubChem (CID 161067438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).