2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide

C99H93N13O26 — CID 167680925

IUPAC2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.CCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.COCCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.NCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.O=C1CCC(c2coc3ccc(NC(=O)C4CC4)cc23)C(=O)N1.O=C1CCC(c2coc3ccc(NC(=O)c4ccco4)cc23)C(=O)N1
InChIInChI=1S/C18H14N2O5.C17H18N2O5.C17H16N2O4.C16H16N2O4.C16H14N2O4.C15H15N3O4/c21-16-6-4-11(17(22)20-16)13-9-25-14-5-3-10(8-12(13)14)19-18(23)15-2-1-7-24-15;1-23-7-6-16(21)18-10-2-4-14-12(8-10)13(9-24-14)11-3-5-15(20)19-17(11)22;20-15-6-4-11(17(22)19-15)13-8-23-14-5-3-10(7-12(13)14)18-16(21)9-1-2-9;2*1-2-14(19)17-9-3-5-13-11(7-9)12(8-22-13)10-4-6-15(20)18-16(10)21;16-6-14(20)17-8-1-3-12-10(5-8)11(7-22-12)9-2-4-13(19)18-15(9)21/h1-3,5,7-9,11H,4,6H2,(H,19,23)(H,20,21,22);2,4,8-9,11H,3,5-7H2,1H3,(H,18,21)(H,19,20,22);3,5,7-9,11H,1-2,4,6H2,(H,18,21)(H,19,20,22);3,5,7-8,10H,2,4,6H2,1H3,(H,17,19)(H,18,20,21);2-3,5,7-8,10H,1,4,6H2,(H,17,19)(H,18,20,21);1,3,5,7,9H,2,4,6,16H2,(H,17,20)(H,18,19,21)
InChIKeyVNKBPRAKALUAIA-UHFFFAOYSA-N
MW1880.90 g/mol
LogP12.26
Rot. Bonds20

About 2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide

2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide (PubChem CID 167680925) has the molecular formula C99H93N13O26 and a molecular weight of 1880.90 g/mol. Its IUPAC name is 2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide
PubChem CID167680925
Molecular FormulaC99H93N13O26
Molecular Weight1880.90 g/mol
Exact Mass1879.64
IUPAC Name2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.CCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.COCCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.NCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.O=C1CCC(c2coc3ccc(NC(=O)C4CC4)cc23)C(=O)N1.O=C1CCC(c2coc3ccc(NC(=O)c4ccco4)cc23)C(=O)N1
InChIInChI=1S/C18H14N2O5.C17H18N2O5.C17H16N2O4.C16H16N2O4.C16H14N2O4.C15H15N3O4/c21-16-6-4-11(17(22)20-16)13-9-25-14-5-3-10(8-12(13)14)19-18(23)15-2-1-7-24-15;1-23-7-6-16(21)18-10-2-4-14-12(8-10)13(9-24-14)11-3-5-15(20)19-17(11)22;20-15-6-4-11(17(22)19-15)13-8-23-14-5-3-10(7-12(13)14)18-16(21)9-1-2-9;2*1-2-14(19)17-9-3-5-13-11(7-9)12(8-22-13)10-4-6-15(20)18-16(10)21;16-6-14(20)17-8-1-3-12-10(5-8)11(7-22-12)9-2-4-13(19)18-15(9)21/h1-3,5,7-9,11H,4,6H2,(H,19,23)(H,20,21,22);2,4,8-9,11H,3,5-7H2,1H3,(H,18,21)(H,19,20,22);3,5,7-9,11H,1-2,4,6H2,(H,18,21)(H,19,20,22);3,5,7-8,10H,2,4,6H2,1H3,(H,17,19)(H,18,20,21);2-3,5,7-8,10H,1,4,6H2,(H,17,19)(H,18,20,21);1,3,5,7,9H,2,4,6,16H2,(H,17,20)(H,18,19,21)
InChIKeyVNKBPRAKALUAIA-UHFFFAOYSA-N
XLogP12.26
TPSA578.85 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001880.90
LogP ≤ 512.26
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide with MolForge

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Related Compounds

N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-N',N'-di(propan-2-yl)heptanediamide
CID 176689424
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 39193182
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide
CID 30907632
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 55629630
N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474980
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide
CID 176689408
3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 166645438
N-[4-(4-hydroxybutanoylamino)phenyl]furan-2-carboxamide
CID 79204658

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide?
The IUPAC name of 2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide (CID 167680925) is 2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide.
What is the SMILES notation for 2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide?
The canonical SMILES for 2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.CCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.COCCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.NCC(=O)Nc1ccc2occ(C3CCC(=O)NC3=O)c2c1.O=C1CCC(c2coc3ccc(NC(=O)C4CC4)cc23)C(=O)N1.O=C1CCC(c2coc3ccc(NC(=O)c4ccco4)cc23)C(=O)N1.
What is the InChIKey of 2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide?
The InChIKey is VNKBPRAKALUAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5.C17H18N2O5.C17H16N2O4.C16H16N2O4.C16H14N2O4.C15H15N3O4/c21-16-6-4-11(17(22)20-16)13-9-25-14-5-3-10(8-12(13)14)19-18(23)15-2-1-7-24-15;1-23-7-6-16(21)18-10-2-4-14-12(8-10)13(9-24-14)11-3-5-15(20)19-17(11)22;20-15-6-4-11(17(22)19-15)13-8-23-14-5-3-10(7-12(13)14)18-16(21)9-1-2-9;2*1-2-14(19)17-9-3-5-13-11(7-9)12(8-22-13)10-4-6-15(20)18-16(10)21;16-6-14(20)17-8-1-3-12-10(5-8)11(7-22-12)9-2-4-13(19)18-15(9)21/h1-3,5,7-9,11H,4,6H2,(H,19,23)(H,20,21,22);2,4,8-9,11H,3,5-7H2,1H3,(H,18,21)(H,19,20,22);3,5,7-9,11H,1-2,4,6H2,(H,18,21)(H,19,20,22);3,5,7-8,10H,2,4,6H2,1H3,(H,17,19)(H,18,20,21);2-3,5,7-8,10H,1,4,6H2,(H,17,19)(H,18,20,21);1,3,5,7,9H,2,4,6,16H2,(H,17,20)(H,18,19,21).
What are the key properties of 2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide?
2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide has a molecular weight of 1880.90 g/mol, XLogP of 12.26, 20 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]cyclopropanecarboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]furan-2-carboxamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]-3-methoxypropanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide;N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]prop-2-enamide is sourced from PubChem (CID 167680925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).