1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane

C49H92N6O14 — CID 143743886

About 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane

1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane (PubChem CID 143743886) has the molecular formula C49H92N6O14 and a molecular weight of 989.30 g/mol. Its IUPAC name is 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane.

Molecular Properties

• Compound Name: 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane
• PubChem CID: 143743886
• Molecular Formula: C49H92N6O14
• Molecular Weight: 989.30 g/mol
• Exact Mass: 988.67
• IUPAC Name: 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane
• SMILES: CC.CC.CC.CC.CC.Cc1c(C)c(NCC(O)CN(C=O)c2c(C)c(C(=O)NCC(O)CO)c(C)c(C(=O)NCC(O)CO)c2C)c(C)c(C(=O)NCC(O)CO)c1C.O=CNCC(O)CO
• InChI: InChI=1S/C35H53N5O11.C4H9NO3.5C2H6/c1-17-18(2)28(33(49)37-9-25(46)13-41)21(5)31(19(17)3)36-8-24(45)12-40(16-44)32-22(6)29(34(50)38-10-26(47)14-42)20(4)30(23(32)7)35(51)39-11-27(48)15-43;6-2-4(8)1-5-3-7;5*1-2/h16,24-27,36,41-43,45-48H,8-15H2,1-7H3,(H,37,49)(H,38,50)(H,39,51);3-4,6,8H,1-2H2,(H,5,7);5*1-2H3
• InChIKey: FWSUMRFEGUSVRG-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 330.81 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 15
• Rotatable Bonds: 23
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.30
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane?

The IUPAC name of 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane (CID 143743886) is 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane.

What is the SMILES notation for 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane?

The canonical SMILES for 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane is CC.CC.CC.CC.CC.Cc1c(C)c(NCC(O)CN(C=O)c2c(C)c(C(=O)NCC(O)CO)c(C)c(C(=O)NCC(O)CO)c2C)c(C)c(C(=O)NCC(O)CO)c1C.O=CNCC(O)CO.

What is the InChIKey of 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane?

The InChIKey is FWSUMRFEGUSVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53N5O11.C4H9NO3.5C2H6/c1-17-18(2)28(33(49)37-9-25(46)13-41)21(5)31(19(17)3)36-8-24(45)12-40(16-44)32-22(6)29(34(50)38-10-26(47)14-42)20(4)30(23(32)7)35(51)39-11-27(48)15-43;6-2-4(8)1-5-3-7;5*1-2/h16,24-27,36,41-43,45-48H,8-15H2,1-7H3,(H,37,49)(H,38,50)(H,39,51);3-4,6,8H,1-2H2,(H,5,7);5*1-2H3.

What are the key properties of 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane?

1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane has a molecular weight of 989.30 g/mol, XLogP of 1.75, 23 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-2,4,5,6-tetramethylanilino]-2-hydroxypropyl]-formylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)formamide;ethane is sourced from PubChem (CID 143743886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).