N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane

C50H94N6O14 — CID 143743904

About N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane

N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane (PubChem CID 143743904) has the molecular formula C50H94N6O14 and a molecular weight of 1003.33 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane.

Molecular Properties

• Compound Name: N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane
• PubChem CID: 143743904
• Molecular Formula: C50H94N6O14
• Molecular Weight: 1003.33 g/mol
• Exact Mass: 1002.68
• IUPAC Name: N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane
• SMILES: C.CC.CC.CC.CC.CC.Cc1c(C)c(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)NC(CO)CO)c2C)c1C.O=CNC(CO)CO
• InChI: InChI=1S/C35H51N5O11.C4H9NO3.5C2H6.CH4/c1-18-19(2)28(33(49)36-8-10-41)22(5)31(20(18)3)39(16-45)12-26(47)27(48)13-40(17-46)32-23(6)29(34(50)37-9-11-42)21(4)30(24(32)7)35(51)38-25(14-43)15-44;6-1-4(2-7)5-3-8;5*1-2;/h16-17,25-27,41-44,47-48H,8-15H2,1-7H3,(H,36,49)(H,37,50)(H,38,51);3-4,6-7H,1-2H2,(H,5,8);5*1-2H3;1H4
• InChIKey: ZCMSTSWTOQHTGH-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 318.86 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1003.33
LogP ≤ 5	2.57
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 N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane?

The IUPAC name of N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane (CID 143743904) is N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane.

What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane?

The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane is C.CC.CC.CC.CC.CC.Cc1c(C)c(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)NC(CO)CO)c2C)c1C.O=CNC(CO)CO.

What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane?

The InChIKey is ZCMSTSWTOQHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N5O11.C4H9NO3.5C2H6.CH4/c1-18-19(2)28(33(49)36-8-10-41)22(5)31(20(18)3)39(16-45)12-26(47)27(48)13-40(17-46)32-23(6)29(34(50)37-9-11-42)21(4)30(24(32)7)35(51)38-25(14-43)15-44;6-1-4(2-7)5-3-8;5*1-2;/h16-17,25-27,41-44,47-48H,8-15H2,1-7H3,(H,36,49)(H,37,50)(H,38,51);3-4,6-7H,1-2H2,(H,5,8);5*1-2H3;1H4.

What are the key properties of N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane?

N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane has a molecular weight of 1003.33 g/mol, XLogP of 2.57, 23 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dihydroxypropan-2-yl)formamide;3-N-(1,3-dihydroxypropan-2-yl)-5-[formyl-[4-[N-formyl-3-(2-hydroxyethylcarbamoyl)-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]amino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide;ethane;methane is sourced from PubChem (CID 143743904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).