[1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide

C142H215N25O34 — CID 54107219

About [1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide

[1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide (PubChem CID 54107219) has the molecular formula C142H215N25O34 and a molecular weight of 2816.42 g/mol. Its IUPAC name is [1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide.

Molecular Properties

• Compound Name: [1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide
• PubChem CID: 54107219
• Molecular Formula: C142H215N25O34
• Molecular Weight: 2816.42 g/mol
• Exact Mass: 2814.59
• IUPAC Name: [1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide
• SMILES: COc1cc(C(=O)NCC(O)CCCCCCCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc(OC)c1OC.COc1cc(CN(CC(CCCCCCCCCn2c(=O)c3c(ncn3C)n(C)c2=O)OC(C)=O)C(C)=O)cc(OC)c1OC.COc1cc(CN(CC(O)CCCCCCCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)=O)cc(OC)c1OC.COc1cc(CNC(=O)CCCCCCCCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc(OC)c1OC.Cn1cnc2c1c(=O)n(CCCCCCCCCC(O)CNC(=O)C(O)C(C)(C)CO)c(=O)n2C
• InChI: InChI=1S/C32H47N5O8.C30H45N5O7.C28H41N5O7.C28H41N5O6.C24H41N5O6/c1-22(38)36(19-24-17-26(42-5)29(44-7)27(18-24)43-6)20-25(45-23(2)39)15-13-11-9-8-10-12-14-16-37-31(40)28-30(33-21-34(28)3)35(4)32(37)41;1-21(36)34(18-22-16-24(40-4)27(42-6)25(17-22)41-5)19-23(37)14-12-10-8-7-9-11-13-15-35-29(38)26-28(31-20-32(26)2)33(3)30(35)39;1-31-18-30-25-23(31)27(36)33(28(37)32(25)2)14-12-10-8-6-7-9-11-13-20(34)17-29-26(35)19-15-21(38-3)24(40-5)22(16-19)39-4;1-31-19-30-26-24(31)27(35)33(28(36)32(26)2)15-13-11-9-7-6-8-10-12-14-23(34)29-18-20-16-21(37-3)25(39-5)22(17-20)38-4;1-24(2,15-30)19(32)21(33)25-14-17(31)12-10-8-6-5-7-9-11-13-29-22(34)18-20(26-16-27(18)3)28(4)23(29)35/h17-18,21,25H,8-16,19-20H2,1-7H3;16-17,20,23,37H,7-15,18-19H2,1-6H3;15-16,18,20,34H,6-14,17H2,1-5H3,(H,29,35);16-17,19H,6-15,18H2,1-5H3,(H,29,34);16-17,19,30-32H,5-15H2,1-4H3,(H,25,33)
• InChIKey: NEPBRWXSZUKESI-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 675.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 54
• Rotatable Bonds: 82
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2816.42
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide?

The IUPAC name of [1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide (CID 54107219) is [1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide.

What is the SMILES notation for [1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide?

The canonical SMILES for [1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide is COc1cc(C(=O)NCC(O)CCCCCCCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc(OC)c1OC.COc1cc(CN(CC(CCCCCCCCCn2c(=O)c3c(ncn3C)n(C)c2=O)OC(C)=O)C(C)=O)cc(OC)c1OC.COc1cc(CN(CC(O)CCCCCCCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)=O)cc(OC)c1OC.COc1cc(CNC(=O)CCCCCCCCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc(OC)c1OC.Cn1cnc2c1c(=O)n(CCCCCCCCCC(O)CNC(=O)C(O)C(C)(C)CO)c(=O)n2C.

What is the InChIKey of [1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide?

The InChIKey is NEPBRWXSZUKESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N5O8.C30H45N5O7.C28H41N5O7.C28H41N5O6.C24H41N5O6/c1-22(38)36(19-24-17-26(42-5)29(44-7)27(18-24)43-6)20-25(45-23(2)39)15-13-11-9-8-10-12-14-16-37-31(40)28-30(33-21-34(28)3)35(4)32(37)41;1-21(36)34(18-22-16-24(40-4)27(42-6)25(17-22)41-5)19-23(37)14-12-10-8-7-9-11-13-15-35-29(38)26-28(31-20-32(26)2)33(3)30(35)39;1-31-18-30-25-23(31)27(36)33(28(37)32(25)2)14-12-10-8-6-7-9-11-13-20(34)17-29-26(35)19-15-21(38-3)24(40-5)22(16-19)39-4;1-31-19-30-26-24(31)27(35)33(28(36)32(26)2)15-13-11-9-7-6-8-10-12-14-23(34)29-18-20-16-21(37-3)25(39-5)22(17-20)38-4;1-24(2,15-30)19(32)21(33)25-14-17(31)12-10-8-6-5-7-9-11-13-29-22(34)18-20(26-16-27(18)3)28(4)23(29)35/h17-18,21,25H,8-16,19-20H2,1-7H3;16-17,20,23,37H,7-15,18-19H2,1-6H3;15-16,18,20,34H,6-14,17H2,1-5H3,(H,29,35);16-17,19H,6-15,18H2,1-5H3,(H,29,34);16-17,19,30-32H,5-15H2,1-4H3,(H,25,33).

What are the key properties of [1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide?

[1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide has a molecular weight of 2816.42 g/mol, XLogP of 12.62, 82 rotatable bonds, 8 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[acetyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-2,4-dihydroxy-3,3-dimethylbutanamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-3,4,5-trimethoxybenzamide;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]undecanamide is sourced from PubChem (CID 54107219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).