N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione

C94H100F3N19O25 — CID 158255471

About N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione

N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione (PubChem CID 158255471) has the molecular formula C94H100F3N19O25 and a molecular weight of 1952.94 g/mol. Its IUPAC name is N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione.

Molecular Properties

• Compound Name: N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione
• PubChem CID: 158255471
• Molecular Formula: C94H100F3N19O25
• Molecular Weight: 1952.94 g/mol
• Exact Mass: 1951.71
• IUPAC Name: N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione
• SMILES: CC(C)(C)OC(=O)NCCON1C(=O)c2ccccc2C1=O.CCC(=O)CCCOCC(=O)c1ccc2c(c1)nc(Nc1nc3ccccc3o1)n2C.CN(C)CC(=O)NCCON.CN(C)CC(=O)NCCON1C(=O)c2ccccc2C1=O.Cn1c(Nc2nc3ccccc3o2)nc2cc(C(=O)O)ccc21.O=C1c2ccccc2C(=O)N1O.O=C1c2ccccc2C(=O)N1OCCNC(=O)C(F)(F)F
• InChI: InChI=1S/C23H24N4O4.C16H12N4O3.C15H18N2O5.C14H17N3O4.C12H9F3N2O4.C8H5NO3.C6H15N3O2/c1-3-16(28)7-6-12-30-14-20(29)15-10-11-19-18(13-15)24-22(27(19)2)26-23-25-17-8-4-5-9-21(17)31-23;1-20-12-7-6-9(14(21)22)8-11(12)17-15(20)19-16-18-10-4-2-3-5-13(10)23-16;1-15(2,3)22-14(20)16-8-9-21-17-12(18)10-6-4-5-7-11(10)13(17)19;1-16(2)9-12(18)15-7-8-21-17-13(19)10-5-3-4-6-11(10)14(17)20;13-12(14,15)11(20)16-5-6-21-17-9(18)7-3-1-2-4-8(7)10(17)19;10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-9(2)5-6(10)8-3-4-11-7/h4-5,8-11,13H,3,6-7,12,14H2,1-2H3,(H,24,25,26);2-8H,1H3,(H,21,22)(H,17,18,19);4-7H,8-9H2,1-3H3,(H,16,20);3-6H,7-9H2,1-2H3,(H,15,18);1-4H,5-6H2,(H,16,20);1-4,12H;3-5,7H2,1-2H3,(H,8,10)
• InChIKey: GHFQHSKSHOVIGZ-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 557.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1952.94
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione?

The IUPAC name of N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione (CID 158255471) is N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione.

What is the SMILES notation for N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione?

The canonical SMILES for N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione is CC(C)(C)OC(=O)NCCON1C(=O)c2ccccc2C1=O.CCC(=O)CCCOCC(=O)c1ccc2c(c1)nc(Nc1nc3ccccc3o1)n2C.CN(C)CC(=O)NCCON.CN(C)CC(=O)NCCON1C(=O)c2ccccc2C1=O.Cn1c(Nc2nc3ccccc3o2)nc2cc(C(=O)O)ccc21.O=C1c2ccccc2C(=O)N1O.O=C1c2ccccc2C(=O)N1OCCNC(=O)C(F)(F)F.

What is the InChIKey of N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione?

The InChIKey is GHFQHSKSHOVIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4.C16H12N4O3.C15H18N2O5.C14H17N3O4.C12H9F3N2O4.C8H5NO3.C6H15N3O2/c1-3-16(28)7-6-12-30-14-20(29)15-10-11-19-18(13-15)24-22(27(19)2)26-23-25-17-8-4-5-9-21(17)31-23;1-20-12-7-6-9(14(21)22)8-11(12)17-15(20)19-16-18-10-4-2-3-5-13(10)23-16;1-15(2,3)22-14(20)16-8-9-21-17-12(18)10-6-4-5-7-11(10)13(17)19;1-16(2)9-12(18)15-7-8-21-17-13(19)10-5-3-4-6-11(10)14(17)20;13-12(14,15)11(20)16-5-6-21-17-9(18)7-3-1-2-4-8(7)10(17)19;10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-9(2)5-6(10)8-3-4-11-7/h4-5,8-11,13H,3,6-7,12,14H2,1-2H3,(H,24,25,26);2-8H,1H3,(H,21,22)(H,17,18,19);4-7H,8-9H2,1-3H3,(H,16,20);3-6H,7-9H2,1-2H3,(H,15,18);1-4H,5-6H2,(H,16,20);1-4,12H;3-5,7H2,1-2H3,(H,8,10).

What are the key properties of N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione?

N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione has a molecular weight of 1952.94 g/mol, XLogP of 9.32, 32 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminooxyethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;6-[2-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-2-oxoethoxy]hexan-3-one;tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate;2-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]acetamide;N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-2,2,2-trifluoroacetamide;2-hydroxyisoindole-1,3-dione is sourced from PubChem (CID 158255471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).