N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane

C26H51N3O8 — CID 153399212

About N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane

N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane (PubChem CID 153399212) has the molecular formula C26H51N3O8 and a molecular weight of 533.71 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane.

Molecular Properties

• Compound Name: N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane
• PubChem CID: 153399212
• Molecular Formula: C26H51N3O8
• Molecular Weight: 533.71 g/mol
• Exact Mass: 533.37
• IUPAC Name: N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane
• SMILES: CC.CC.CC.Cc1c(C)c(NC(=O)CO)c(C)c(C(=O)NCC(O)CO)c1C.O=CNCC(O)CO
• InChI: InChI=1S/C16H24N2O5.C4H9NO3.3C2H6/c1-8-9(2)14(16(23)17-5-12(21)6-19)11(4)15(10(8)3)18-13(22)7-20;6-2-4(8)1-5-3-7;3*1-2/h12,19-21H,5-7H2,1-4H3,(H,17,23)(H,18,22);3-4,6,8H,1-2H2,(H,5,7);3*1-2H3
• InChIKey: XALRMIULWOBCIX-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 188.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.71
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane?

The IUPAC name of N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane (CID 153399212) is N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane.

What is the SMILES notation for N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane?

The canonical SMILES for N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane is CC.CC.CC.Cc1c(C)c(NC(=O)CO)c(C)c(C(=O)NCC(O)CO)c1C.O=CNCC(O)CO.

What is the InChIKey of N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane?

The InChIKey is XALRMIULWOBCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5.C4H9NO3.3C2H6/c1-8-9(2)14(16(23)17-5-12(21)6-19)11(4)15(10(8)3)18-13(22)7-20;6-2-4(8)1-5-3-7;3*1-2/h12,19-21H,5-7H2,1-4H3,(H,17,23)(H,18,22);3-4,6,8H,1-2H2,(H,5,7);3*1-2H3.

What are the key properties of N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane?

N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane has a molecular weight of 533.71 g/mol, XLogP of 1.10, 10 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane is sourced from PubChem (CID 153399212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).