5-[acetyl-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-trimethylanilino]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane

C49H82N6O15 — CID 143854239

About 5-[acetyl-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-trimethylanilino]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane

5-[acetyl-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-trimethylanilino]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane (PubChem CID 143854239) has the molecular formula C49H82N6O15 and a molecular weight of 995.22 g/mol. Its IUPAC name is 5-[acetyl-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-trimethylanilino]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane.

Molecular Properties

• Compound Name: 5-[acetyl-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-trimethylanilino]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane
• PubChem CID: 143854239
• Molecular Formula: C49H82N6O15
• Molecular Weight: 995.22 g/mol
• Exact Mass: 994.58
• IUPAC Name: 5-[acetyl-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-trimethylanilino]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane
• SMILES: CC.CC.CC(=O)N(CC(O)CN(C(C)=O)c1c(C)c(C(=O)N(CCO)CCO)c(C)c(C(=O)N(CCO)CCO)c1C)c1c(C)c(C(=O)N(CCO)CCO)c(C)c(C(=O)N(CCO)CCO)c1C
• InChI: InChI=1S/C45H70N6O15.2C2H6/c1-27-36(42(63)46(9-17-52)10-18-53)29(3)40(30(4)37(27)43(64)47(11-19-54)12-20-55)50(33(7)60)25-35(62)26-51(34(8)61)41-31(5)38(44(65)48(13-21-56)14-22-57)28(2)39(32(41)6)45(66)49(15-23-58)16-24-59;2*1-2/h35,52-59,62H,9-26H2,1-8H3;2*1-2H3
• InChIKey: WZMMNXIVJRFTKY-UHFFFAOYSA-N
• XLogP: 0.06
• TPSA: 303.93 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	995.22
LogP ≤ 5	0.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 5-[acetyl-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-trimethylanilino]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane (CID 143854239) is 5-[acetyl-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-trimethylanilino]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane.

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

The canonical SMILES for 5-[acetyl-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-trimethylanilino]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane is CC.CC.CC(=O)N(CC(O)CN(C(C)=O)c1c(C)c(C(=O)N(CCO)CCO)c(C)c(C(=O)N(CCO)CCO)c1C)c1c(C)c(C(=O)N(CCO)CCO)c(C)c(C(=O)N(CCO)CCO)c1C.

What is the InChIKey of 5-[acetyl-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-trimethylanilino]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane?

The InChIKey is WZMMNXIVJRFTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H70N6O15.2C2H6/c1-27-36(42(63)46(9-17-52)10-18-53)29(3)40(30(4)37(27)43(64)47(11-19-54)12-20-55)50(33(7)60)25-35(62)26-51(34(8)61)41-31(5)38(44(65)48(13-21-56)14-22-57)28(2)39(32(41)6)45(66)49(15-23-58)16-24-59;2*1-2/h35,52-59,62H,9-26H2,1-8H3;2*1-2H3.

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

5-[acetyl-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-trimethylanilino]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane has a molecular weight of 995.22 g/mol, XLogP of 0.06, 26 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[acetyl-[3-[N-acetyl-3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-trimethylanilino]-2-hydroxypropyl]amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane is sourced from PubChem (CID 143854239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).