benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate

C158H208N16O58 — CID 157139670

About benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate

benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 157139670) has the molecular formula C158H208N16O58 and a molecular weight of 3259.46 g/mol. Its IUPAC name is benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
• PubChem CID: 157139670
• Molecular Formula: C158H208N16O58
• Molecular Weight: 3259.46 g/mol
• Exact Mass: 3257.38
• IUPAC Name: benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
• SMILES: C=COCCCNC(=O)C(CCC(=O)NCOC=C)NC(=O)CNC(=O)OCc1ccccc1.C=COCCCNC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCOC=C.C=COCCCNC(=O)CN(CC(=O)NCCCOC=C)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.C=COCCCOC(=O)CCC(=O)OCC(COC(=O)CCC(=O)OCCCOC=C)OC(=O)CCC(=O)ON1C(=O)CCC1=O.C=COCCCOC(=O)CCC(NC(=O)CCC(=O)ON1C(=O)CCC1=O)C(=O)OCCCOC=C.C=COCCCOC(=O)CN(CC(=O)OCCCOC=C)C(=O)CCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C31H38N4O7.C30H37N3O6.C29H39NO16.C23H32N4O7.C23H32N2O11.C22H30N2O11/c1-3-40-17-9-15-32-28(36)20-35(21-29(37)33-16-10-18-41-4-2)30(38)19-34-31(39)42-22-27-25-13-7-5-11-23(25)24-12-6-8-14-26(24)27;1-3-37-19-9-17-31-28(34)16-15-27(29(35)32-18-10-20-38-4-2)33-30(36)39-21-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26;1-3-39-15-5-17-41-24(33)9-11-26(35)43-19-21(20-44-27(36)12-10-25(34)42-18-6-16-40-4-2)45-28(37)13-14-29(38)46-30-22(31)7-8-23(30)32;1-3-32-14-8-13-24-22(30)19(11-12-20(28)26-17-33-4-2)27-21(29)15-25-23(31)34-16-18-9-6-5-7-10-18;1-3-32-13-5-15-34-21(29)11-7-17(23(31)35-16-6-14-33-4-2)24-18(26)8-12-22(30)36-25-19(27)9-10-20(25)28;1-3-31-11-5-13-33-21(29)15-23(16-22(30)34-14-6-12-32-4-2)17(25)9-10-20(28)35-24-18(26)7-8-19(24)27/h3-8,11-14,27H,1-2,9-10,15-22H2,(H,32,36)(H,33,37)(H,34,39);3-8,11-14,26-27H,1-2,9-10,15-21H2,(H,31,34)(H,32,35)(H,33,36);3-4,21H,1-2,5-20H2;3-7,9-10,19H,1-2,8,11-17H2,(H,24,30)(H,25,31)(H,26,28)(H,27,29);3-4,17H,1-2,5-16H2,(H,24,26);3-4H,1-2,5-16H2
• InChIKey: AKAWCGVGDLNKOD-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 926.91 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 58
• Rotatable Bonds: 114
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3259.46
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?

The IUPAC name of benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate (CID 157139670) is benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate.

What is the SMILES notation for benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?

The canonical SMILES for benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate is C=COCCCNC(=O)C(CCC(=O)NCOC=C)NC(=O)CNC(=O)OCc1ccccc1.C=COCCCNC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCOC=C.C=COCCCNC(=O)CN(CC(=O)NCCCOC=C)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.C=COCCCOC(=O)CCC(=O)OCC(COC(=O)CCC(=O)OCCCOC=C)OC(=O)CCC(=O)ON1C(=O)CCC1=O.C=COCCCOC(=O)CCC(NC(=O)CCC(=O)ON1C(=O)CCC1=O)C(=O)OCCCOC=C.C=COCCCOC(=O)CN(CC(=O)OCCCOC=C)C(=O)CCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?

The InChIKey is AKAWCGVGDLNKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O7.C30H37N3O6.C29H39NO16.C23H32N4O7.C23H32N2O11.C22H30N2O11/c1-3-40-17-9-15-32-28(36)20-35(21-29(37)33-16-10-18-41-4-2)30(38)19-34-31(39)42-22-27-25-13-7-5-11-23(25)24-12-6-8-14-26(24)27;1-3-37-19-9-17-31-28(34)16-15-27(29(35)32-18-10-20-38-4-2)33-30(36)39-21-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26;1-3-39-15-5-17-41-24(33)9-11-26(35)43-19-21(20-44-27(36)12-10-25(34)42-18-6-16-40-4-2)45-28(37)13-14-29(38)46-30-22(31)7-8-23(30)32;1-3-32-14-8-13-24-22(30)19(11-12-20(28)26-17-33-4-2)27-21(29)15-25-23(31)34-16-18-9-6-5-7-10-18;1-3-32-13-5-15-34-21(29)11-7-17(23(31)35-16-6-14-33-4-2)24-18(26)8-12-22(30)36-25-19(27)9-10-20(25)28;1-3-31-11-5-13-33-21(29)15-23(16-22(30)34-14-6-12-32-4-2)17(25)9-10-20(28)35-24-18(26)7-8-19(24)27/h3-8,11-14,27H,1-2,9-10,15-22H2,(H,32,36)(H,33,37)(H,34,39);3-8,11-14,26-27H,1-2,9-10,15-21H2,(H,31,34)(H,32,35)(H,33,36);3-4,21H,1-2,5-20H2;3-7,9-10,19H,1-2,8,11-17H2,(H,24,30)(H,25,31)(H,26,28)(H,27,29);3-4,17H,1-2,5-16H2,(H,24,26);3-4H,1-2,5-16H2.

What are the key properties of benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?

benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 3259.46 g/mol, XLogP of 10.11, 114 rotatable bonds, 11 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[[5-(ethenoxymethylamino)-1-(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]carbamate;bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate;(2,5-dioxopyrrolidin-1-yl) 4-[bis[2-(3-ethenoxypropoxy)-2-oxoethyl]amino]-4-oxobutanoate;4-O-[2-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxy-3-[4-(3-ethenoxypropoxy)-4-oxobutanoyl]oxypropyl] 1-O-(3-ethenoxypropyl) butanedioate;9H-fluoren-9-ylmethyl N-[1,5-bis(3-ethenoxypropylamino)-1,5-dioxopentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[2-[bis[2-(3-ethenoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 157139670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).