acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione

C88H147N14O29- — CID 159587121

About acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione

acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione (PubChem CID 159587121) has the molecular formula C88H147N14O29- and a molecular weight of 1865.21 g/mol. Its IUPAC name is acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione.

Molecular Properties

• Compound Name: acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione
• PubChem CID: 159587121
• Molecular Formula: C88H147N14O29-
• Molecular Weight: 1865.21 g/mol
• Exact Mass: 1864.05
• IUPAC Name: acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione
• SMILES: C.CC.CC.CC.CC.CC(=O)CCN1C(=O)C=CC1=O.CC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O.CC(N)=O.CC(N)=O.C[C@H](C=O)CCCCNC(=O)CCN1C(=O)C=CC1=O.C[C@H](C=O)CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O.[NH-][C@H](C=O)CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C20H31N3O7.C19H29N4O7.C14H20N2O6.C14H20N2O4.C8H9NO3.2C2H5NO.4C2H6.CH4/c1-16(14-24)4-2-3-8-21-18(26)15-30-13-12-29-11-9-22-17(25)7-10-23-19(27)5-6-20(23)28;20-15(13-24)3-1-2-7-21-17(26)14-30-12-11-29-10-8-22-16(25)6-9-23-18(27)4-5-19(23)28;1-11(17)10-22-9-8-21-7-5-15-12(18)4-6-16-13(19)2-3-14(16)20;1-11(10-17)4-2-3-8-15-12(18)7-9-16-13(19)5-6-14(16)20;1-6(10)4-5-9-7(11)2-3-8(9)12;2*1-2(3)4;4*1-2;/h5-6,14,16H,2-4,7-13,15H2,1H3,(H,21,26)(H,22,25);4-5,13,15,20H,1-3,6-12,14H2,(H,21,26)(H,22,25);2-3H,4-10H2,1H3,(H,15,18);5-6,10-11H,2-4,7-9H2,1H3,(H,15,18);2-3H,4-5H2,1H3;2*1H3,(H2,3,4);4*1-2H3;1H4/q;-1;;;;;;;;;;/t16-;15-;;11-;;;;;;;;/m00.0......../s1
• InChIKey: MJTKVCJPJPRYLD-LYPUEKMWSA-N
• XLogP: 2.01
• TPSA: 612.21 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 57
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1865.21
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione?

The IUPAC name of acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione (CID 159587121) is acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione.

What is the SMILES notation for acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione?

The canonical SMILES for acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione is C.CC.CC.CC.CC.CC(=O)CCN1C(=O)C=CC1=O.CC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O.CC(N)=O.CC(N)=O.C[C@H](C=O)CCCCNC(=O)CCN1C(=O)C=CC1=O.C[C@H](C=O)CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O.[NH-][C@H](C=O)CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione?

The InChIKey is MJTKVCJPJPRYLD-LYPUEKMWSA-N. The full InChI is InChI=1S/C20H31N3O7.C19H29N4O7.C14H20N2O6.C14H20N2O4.C8H9NO3.2C2H5NO.4C2H6.CH4/c1-16(14-24)4-2-3-8-21-18(26)15-30-13-12-29-11-9-22-17(25)7-10-23-19(27)5-6-20(23)28;20-15(13-24)3-1-2-7-21-17(26)14-30-12-11-29-10-8-22-16(25)6-9-23-18(27)4-5-19(23)28;1-11(17)10-22-9-8-21-7-5-15-12(18)4-6-16-13(19)2-3-14(16)20;1-11(10-17)4-2-3-8-15-12(18)7-9-16-13(19)5-6-14(16)20;1-6(10)4-5-9-7(11)2-3-8(9)12;2*1-2(3)4;4*1-2;/h5-6,14,16H,2-4,7-13,15H2,1H3,(H,21,26)(H,22,25);4-5,13,15,20H,1-3,6-12,14H2,(H,21,26)(H,22,25);2-3H,4-10H2,1H3,(H,15,18);5-6,10-11H,2-4,7-9H2,1H3,(H,15,18);2-3H,4-5H2,1H3;2*1H3,(H2,3,4);4*1-2H3;1H4/q;-1;;;;;;;;;;/t16-;15-;;11-;;;;;;;;/m00.0......../s1.

What are the key properties of acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione?

acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione has a molecular weight of 1865.21 g/mol, XLogP of 2.01, 57 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione is sourced from PubChem (CID 159587121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).