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

C51H86N6O17 — CID 143854294

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

5-[acetyl-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane (PubChem CID 143854294) has the molecular formula C51H86N6O17 and a molecular weight of 1055.27 g/mol. Its IUPAC name is 5-[acetyl-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]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-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane
• PubChem CID: 143854294
• Molecular Formula: C51H86N6O17
• Molecular Weight: 1055.27 g/mol
• Exact Mass: 1054.60
• IUPAC Name: 5-[acetyl-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]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)C(O)C(O)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/C47H74N6O17.2C2H6/c1-23-37(44(67)48(9)13-31(60)19-54)25(3)41(26(4)38(23)45(68)49(10)14-32(61)20-55)52(29(7)58)17-35(64)43(66)36(65)18-53(30(8)59)42-27(5)39(46(69)50(11)15-33(62)21-56)24(2)40(28(42)6)47(70)51(12)16-34(63)22-57;2*1-2/h31-36,43,54-57,60-66H,13-22H2,1-12H3;2*1-2H3
• InChIKey: YVNNTDQYBUVKRH-UHFFFAOYSA-N
• XLogP: -1.22
• TPSA: 344.39 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.27
LogP ≤ 5	-1.22
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-[acetyl-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]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-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane (CID 143854294) is 5-[acetyl-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]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-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]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-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]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)C(O)C(O)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-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane?

The InChIKey is YVNNTDQYBUVKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H74N6O17.2C2H6/c1-23-37(44(67)48(9)13-31(60)19-54)25(3)41(26(4)38(23)45(68)49(10)14-32(61)20-55)52(29(7)58)17-35(64)43(66)36(65)18-53(30(8)59)42-27(5)39(46(69)50(11)15-33(62)21-56)24(2)40(28(42)6)47(70)51(12)16-34(63)22-57;2*1-2/h31-36,43,54-57,60-66H,13-22H2,1-12H3;2*1-2H3.

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

5-[acetyl-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]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 1055.27 g/mol, XLogP of -1.22, 24 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[acetyl-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]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 143854294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).