5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane

C50H84N6O16 — CID 143854259

About 5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane

5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane (PubChem CID 143854259) has the molecular formula C50H84N6O16 and a molecular weight of 1025.25 g/mol. Its IUPAC name is 5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane.

Molecular Properties

• Compound Name: 5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane
• PubChem CID: 143854259
• Molecular Formula: C50H84N6O16
• Molecular Weight: 1025.25 g/mol
• Exact Mass: 1024.59
• IUPAC Name: 5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane
• SMILES: CC.CC.CC(=O)N(CC(O)(CO)CN(C(C)=O)c1c(C)c(C(=O)N(C)CC(O)CO)c(C)c(C(=O)N(C)CC(O)CO)c1C)c1c(C)c(C(=O)N(C)CC(O)CO)c(C)c(C(=O)N(C)CC(O)CO)c1C
• InChI: InChI=1S/C46H72N6O16.2C2H6/c1-24-36(42(64)47(9)13-32(60)17-53)26(3)40(27(4)37(24)43(65)48(10)14-33(61)18-54)51(30(7)58)21-46(68,23-57)22-52(31(8)59)41-28(5)38(44(66)49(11)15-34(62)19-55)25(2)39(29(41)6)45(67)50(12)16-35(63)20-56;2*1-2/h32-35,53-57,60-63,68H,13-23H2,1-12H3;2*1-2H3
• InChIKey: YCLVMDCEDNUTNJ-UHFFFAOYSA-N
• XLogP: -0.58
• TPSA: 324.16 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1025.25
LogP ≤ 5	-0.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane?

The IUPAC name of 5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane (CID 143854259) is 5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane.

What is the SMILES notation for 5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane?

The canonical SMILES for 5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane is CC.CC.CC(=O)N(CC(O)(CO)CN(C(C)=O)c1c(C)c(C(=O)N(C)CC(O)CO)c(C)c(C(=O)N(C)CC(O)CO)c1C)c1c(C)c(C(=O)N(C)CC(O)CO)c(C)c(C(=O)N(C)CC(O)CO)c1C.

What is the InChIKey of 5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane?

The InChIKey is YCLVMDCEDNUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H72N6O16.2C2H6/c1-24-36(42(64)47(9)13-32(60)17-53)26(3)40(27(4)37(24)43(65)48(10)14-33(61)18-54)51(30(7)58)21-46(68,23-57)22-52(31(8)59)41-28(5)38(44(66)49(11)15-34(62)19-55)25(2)39(29(41)6)45(67)50(12)16-35(63)20-56;2*1-2/h32-35,53-57,60-63,68H,13-23H2,1-12H3;2*1-2H3.

What are the key properties of 5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane?

5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane has a molecular weight of 1025.25 g/mol, XLogP of -0.58, 23 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane is sourced from PubChem (CID 143854259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).