3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide

C38H56N6O14 — CID 143743897

About 3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide

3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide (PubChem CID 143743897) has the molecular formula C38H56N6O14 and a molecular weight of 820.89 g/mol. Its IUPAC name is 3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide
• PubChem CID: 143743897
• Molecular Formula: C38H56N6O14
• Molecular Weight: 820.89 g/mol
• Exact Mass: 820.39
• IUPAC Name: 3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide
• SMILES: Cc1c(C(=O)NCCO)c(C)c(N(C=O)CC(O)C(O)CN(C=O)c2c(C)c(C(=O)NCCO)c(C)c(C(=O)NCC(O)CO)c2C)c(C)c1C(=O)NCC(O)CO
• InChI: InChI=1S/C38H56N6O14/c1-19-29(35(55)39-7-9-45)21(3)33(23(5)31(19)37(57)41-11-25(51)15-47)43(17-49)13-27(53)28(54)14-44(18-50)34-22(4)30(36(56)40-8-10-46)20(2)32(24(34)6)38(58)42-12-26(52)16-48/h17-18,25-28,45-48,51-54H,7-16H2,1-6H3,(H,39,55)(H,40,56)(H,41,57)(H,42,58)
• InChIKey: RNZXACLHJACQIK-UHFFFAOYSA-N
• XLogP: -3.51
• TPSA: 318.86 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	820.89
LogP ≤ 5	-3.51
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide?

The IUPAC name of 3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide (CID 143743897) is 3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide.

What is the SMILES notation for 3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide?

The canonical SMILES for 3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide is Cc1c(C(=O)NCCO)c(C)c(N(C=O)CC(O)C(O)CN(C=O)c2c(C)c(C(=O)NCCO)c(C)c(C(=O)NCC(O)CO)c2C)c(C)c1C(=O)NCC(O)CO.

What is the InChIKey of 3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide?

The InChIKey is RNZXACLHJACQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56N6O14/c1-19-29(35(55)39-7-9-45)21(3)33(23(5)31(19)37(57)41-11-25(51)15-47)43(17-49)13-27(53)28(54)14-44(18-50)34-22(4)30(36(56)40-8-10-46)20(2)32(24(34)6)38(58)42-12-26(52)16-48/h17-18,25-28,45-48,51-54H,7-16H2,1-6H3,(H,39,55)(H,40,56)(H,41,57)(H,42,58).

What are the key properties of 3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide?

3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide has a molecular weight of 820.89 g/mol, XLogP of -3.51, 23 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 143743897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).