3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde

C50H96N6O12 — CID 143787632

About 3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde

3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde (PubChem CID 143787632) has the molecular formula C50H96N6O12 and a molecular weight of 973.35 g/mol. Its IUPAC name is 3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde.

Molecular Properties

• Compound Name: 3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde
• PubChem CID: 143787632
• Molecular Formula: C50H96N6O12
• Molecular Weight: 973.35 g/mol
• Exact Mass: 972.71
• IUPAC Name: 3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde
• SMILES: CC.CC.CC.CC.CC.CC.CNc1c(C)c(C(=O)NCCNC=O)c(C)c(C(=O)N(C)CC(O)CO)c1C.Cc1c(C)c(NC(=O)CO)c(C)c(C(=O)N(C)CC(O)CO)c1C.O=CCO
• InChI: InChI=1S/C19H30N4O5.C17H26N2O5.C2H4O2.6C2H6/c1-11-15(18(27)22-7-6-21-10-25)12(2)17(20-4)13(3)16(11)19(28)23(5)8-14(26)9-24;1-9-10(2)15(17(24)19(5)6-13(22)7-20)12(4)16(11(9)3)18-14(23)8-21;3-1-2-4;6*1-2/h10,14,20,24,26H,6-9H2,1-5H3,(H,21,25)(H,22,27);13,20-22H,6-8H2,1-5H3,(H,18,23);1,4H,2H2;6*1-2H3
• InChIKey: VPGRLGKNXZHJJB-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 278.40 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	973.35
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde?

The IUPAC name of 3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde (CID 143787632) is 3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde.

What is the SMILES notation for 3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde?

The canonical SMILES for 3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde is CC.CC.CC.CC.CC.CC.CNc1c(C)c(C(=O)NCCNC=O)c(C)c(C(=O)N(C)CC(O)CO)c1C.Cc1c(C)c(NC(=O)CO)c(C)c(C(=O)N(C)CC(O)CO)c1C.O=CCO.

What is the InChIKey of 3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde?

The InChIKey is VPGRLGKNXZHJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O5.C17H26N2O5.C2H4O2.6C2H6/c1-11-15(18(27)22-7-6-21-10-25)12(2)17(20-4)13(3)16(11)19(28)23(5)8-14(26)9-24;1-9-10(2)15(17(24)19(5)6-13(22)7-20)12(4)16(11(9)3)18-14(23)8-21;3-1-2-4;6*1-2/h10,14,20,24,26H,6-9H2,1-5H3,(H,21,25)(H,22,27);13,20-22H,6-8H2,1-5H3,(H,18,23);1,4H,2H2;6*1-2H3.

What are the key properties of 3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde?

3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde has a molecular weight of 973.35 g/mol, XLogP of 5.17, 17 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde is sourced from PubChem (CID 143787632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).