N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide

C105H130N10O16 — CID 91527868

About N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide

N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide (PubChem CID 91527868) has the molecular formula C105H130N10O16 and a molecular weight of 1788.25 g/mol. Its IUPAC name is N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide
• PubChem CID: 91527868
• Molecular Formula: C105H130N10O16
• Molecular Weight: 1788.25 g/mol
• Exact Mass: 1786.97
• IUPAC Name: N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide
• SMILES: CCc1cc(Cc2cc(CC)c(N3C(=O)CC(N(CC(C)(CC)N(C(C)=O)c4cc(O)n(-c5c(CC)cc(Cc6cc(CC)c(-n7c(O)cc(N(CC(C)(CC)N(C(C)=O)C8CC(=O)N(c9c(CC)cc(Cc%10cc(CC)c(N%11C(=O)C=CC%11=O)c(CC)c%10)cc9CC)C8=O)C(C)=O)c7O)c(CC)c6)cc5CC)c4O)C(C)=O)C3=O)c(CC)c2)cc(CC)c1N(C(C)=O)C(C)=O
• InChI: InChI=1S/C105H130N10O16/c1-23-72-42-66(43-73(24-2)94(72)108(62(17)118)63(18)119)39-68-46-76(27-5)96(77(28-6)47-68)110-90(124)54-84(100(110)128)106(60(15)116)58-105(22,36-14)115(65(20)121)87-57-93(127)113(103(87)131)99-82(33-11)52-71(53-83(99)34-12)41-70-48-78(29-7)97(79(30-8)49-70)111-91(125)55-85(101(111)129)107(61(16)117)59-104(21,35-13)114(64(19)120)86-56-92(126)112(102(86)130)98-80(31-9)50-69(51-81(98)32-10)40-67-44-74(25-3)95(75(26-4)45-67)109-88(122)37-38-89(109)123/h37-38,42-53,55,57,84,86,125,127,129,131H,23-36,39-41,54,56,58-59H2,1-22H3
• InChIKey: AJFBNJQXRRNOSL-UHFFFAOYSA-N
• XLogP: 16.34
• TPSA: 321.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 36
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1788.25
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide?

The IUPAC name of N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide (CID 91527868) is N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide.

What is the SMILES notation for N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide?

The canonical SMILES for N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide is CCc1cc(Cc2cc(CC)c(N3C(=O)CC(N(CC(C)(CC)N(C(C)=O)c4cc(O)n(-c5c(CC)cc(Cc6cc(CC)c(-n7c(O)cc(N(CC(C)(CC)N(C(C)=O)C8CC(=O)N(c9c(CC)cc(Cc%10cc(CC)c(N%11C(=O)C=CC%11=O)c(CC)c%10)cc9CC)C8=O)C(C)=O)c7O)c(CC)c6)cc5CC)c4O)C(C)=O)C3=O)c(CC)c2)cc(CC)c1N(C(C)=O)C(C)=O.

What is the InChIKey of N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide?

The InChIKey is AJFBNJQXRRNOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H130N10O16/c1-23-72-42-66(43-73(24-2)94(72)108(62(17)118)63(18)119)39-68-46-76(27-5)96(77(28-6)47-68)110-90(124)54-84(100(110)128)106(60(15)116)58-105(22,36-14)115(65(20)121)87-57-93(127)113(103(87)131)99-82(33-11)52-71(53-83(99)34-12)41-70-48-78(29-7)97(79(30-8)49-70)111-91(125)55-85(101(111)129)107(61(16)117)59-104(21,35-13)114(64(19)120)86-56-92(126)112(102(86)130)98-80(31-9)50-69(51-81(98)32-10)40-67-44-74(25-3)95(75(26-4)45-67)109-88(122)37-38-89(109)123/h37-38,42-53,55,57,84,86,125,127,129,131H,23-36,39-41,54,56,58-59H2,1-22H3.

What are the key properties of N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide?

N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide has a molecular weight of 1788.25 g/mol, XLogP of 16.34, 36 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[acetyl-[1-[4-[[4-[3-[acetyl-[2-[acetyl-[1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]amino]-2-methylbutyl]amino]-2,5-dihydroxypyrrol-1-yl]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dihydroxypyrrol-3-yl]amino]-2-methylbutyl]-N-[1-[4-[[4-(diacetylamino)-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]-2,5-dioxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91527868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).