N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate

C83H145N7O37 — CID 162161433

About N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate

N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 162161433) has the molecular formula C83H145N7O37 and a molecular weight of 1833.09 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

• Compound Name: N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
• PubChem CID: 162161433
• Molecular Formula: C83H145N7O37
• Molecular Weight: 1833.09 g/mol
• Exact Mass: 1831.97
• IUPAC Name: N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
• SMILES: CC1C(OCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)CC(=O)CCCCCCCCCCC(=O)NCCOC(C)(C)OCCN)OC(CO)C(O)C1O.O=C(CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C72H135N5O31.C11H10N2O6/c1-51-62(86)65(89)55(45-78)106-68(51)101-41-38-95-35-32-92-28-20-74-59(83)16-24-98-48-72(44-54(81)14-12-10-8-6-7-9-11-13-15-58(82)77-23-31-105-71(4,5)104-27-19-73,49-99-25-17-60(84)75-21-29-93-33-36-96-39-42-102-69-52(2)63(87)66(90)56(46-79)107-69)50-100-26-18-61(85)76-22-30-94-34-37-97-40-43-103-70-53(3)64(88)67(91)57(47-80)108-70;14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h51-53,55-57,62-70,78-80,86-91H,6-50,73H2,1-5H3,(H,74,83)(H,75,84)(H,76,85)(H,77,82);1-2H,3-6H2
• InChIKey: ZMNMMLXIYDHQMM-UHFFFAOYSA-N
• XLogP: -3.47
• TPSA: 599.53 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 72
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1833.09
LogP ≤ 5	-3.47
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

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': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate?

The IUPAC name of N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate (CID 162161433) is N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate.

What is the SMILES notation for N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate?

The canonical SMILES for N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate is CC1C(OCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)CC(=O)CCCCCCCCCCC(=O)NCCOC(C)(C)OCCN)OC(CO)C(O)C1O.O=C(CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.

What is the InChIKey of N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate?

The InChIKey is ZMNMMLXIYDHQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H135N5O31.C11H10N2O6/c1-51-62(86)65(89)55(45-78)106-68(51)101-41-38-95-35-32-92-28-20-74-59(83)16-24-98-48-72(44-54(81)14-12-10-8-6-7-9-11-13-15-58(82)77-23-31-105-71(4,5)104-27-19-73,49-99-25-17-60(84)75-21-29-93-33-36-96-39-42-102-69-52(2)63(87)66(90)56(46-79)107-69)50-100-26-18-61(85)76-22-30-94-34-37-97-40-43-103-70-53(3)64(88)67(91)57(47-80)108-70;14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h51-53,55-57,62-70,78-80,86-91H,6-50,73H2,1-5H3,(H,74,83)(H,75,84)(H,76,85)(H,77,82);1-2H,3-6H2.

What are the key properties of N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate?

N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 1833.09 g/mol, XLogP of -3.47, 72 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2-aminoethoxy)propan-2-yloxy]ethyl]-15-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-14,14-bis[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-12-oxopentadecanamide;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 162161433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).