N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide

C124H108N20O10 — CID 157401072

About N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide

N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide (PubChem CID 157401072) has the molecular formula C124H108N20O10 and a molecular weight of 2038.36 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide.

Molecular Properties

• Compound Name: N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide
• PubChem CID: 157401072
• Molecular Formula: C124H108N20O10
• Molecular Weight: 2038.36 g/mol
• Exact Mass: 2036.86
• IUPAC Name: N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide
• SMILES: CC(=O)NCCNC(=O)c1ccc2[nH]nc3c2c1CCc1ccccc1-3.CC(C)C(CO)NC(=O)c1ccc2[nH]nc3c2c1CCc1ccccc1-3.O=C(NC1CC1)c1cccc2c1C=Cc1cccc3[nH]nc-2c13.O=C(NCc1cccnc1)c1ccc2[nH]nc3c2c1CCc1ccccc1-3.O=C(NCc1ccco1)c1ccc2[nH]nc3c2c1CCc1ccccc1-3.O=C(NCc1ccco1)c1cccc2c1C=Cc1cccc3[nH]nc-2c13
• InChI: InChI=1S/C22H18N4O.C21H15N3O2.C21H17N3O2.C21H23N3O2.C20H20N4O2.C19H15N3O/c27-22(24-13-14-4-3-11-23-12-14)18-9-10-19-20-17(18)8-7-15-5-1-2-6-16(15)21(20)26-25-19;25-21(22-12-14-5-3-11-26-14)17-7-2-6-16-15(17)10-9-13-4-1-8-18-19(13)20(16)24-23-18;25-21(22-12-14-5-3-11-26-14)17-9-10-18-19-16(17)8-7-13-4-1-2-6-15(13)20(19)24-23-18;1-12(2)18(11-25)22-21(26)16-9-10-17-19-15(16)8-7-13-5-3-4-6-14(13)20(19)24-23-17;1-12(25)21-10-11-22-20(26)16-8-9-17-18-15(16)7-6-13-4-2-3-5-14(13)19(18)24-23-17;23-19(20-12-8-9-12)15-5-2-4-14-13(15)10-7-11-3-1-6-16-17(11)18(14)22-21-16/h1-6,9-12H,7-8,13H2,(H,24,27)(H,25,26);1-11H,12H2,(H,22,25)(H,23,24);1-6,9-11H,7-8,12H2,(H,22,25)(H,23,24);3-6,9-10,12,18,25H,7-8,11H2,1-2H3,(H,22,26)(H,23,24);2-5,8-9H,6-7,10-11H2,1H3,(H,21,25)(H,22,26)(H,23,24);1-7,10,12H,8-9H2,(H,20,23)(H,21,22)
• InChIKey: BNEAUDVCIJNVSN-UHFFFAOYSA-N
• XLogP: 20.62
• TPSA: 435.18 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.36
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide?

The IUPAC name of N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide (CID 157401072) is N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide.

What is the SMILES notation for N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide?

The canonical SMILES for N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide is CC(=O)NCCNC(=O)c1ccc2[nH]nc3c2c1CCc1ccccc1-3.CC(C)C(CO)NC(=O)c1ccc2[nH]nc3c2c1CCc1ccccc1-3.O=C(NC1CC1)c1cccc2c1C=Cc1cccc3[nH]nc-2c13.O=C(NCc1cccnc1)c1ccc2[nH]nc3c2c1CCc1ccccc1-3.O=C(NCc1ccco1)c1ccc2[nH]nc3c2c1CCc1ccccc1-3.O=C(NCc1ccco1)c1cccc2c1C=Cc1cccc3[nH]nc-2c13.

What is the InChIKey of N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide?

The InChIKey is BNEAUDVCIJNVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O.C21H15N3O2.C21H17N3O2.C21H23N3O2.C20H20N4O2.C19H15N3O/c27-22(24-13-14-4-3-11-23-12-14)18-9-10-19-20-17(18)8-7-15-5-1-2-6-16(15)21(20)26-25-19;25-21(22-12-14-5-3-11-26-14)17-7-2-6-16-15(17)10-9-13-4-1-8-18-19(13)20(16)24-23-18;25-21(22-12-14-5-3-11-26-14)17-9-10-18-19-16(17)8-7-13-4-1-2-6-15(13)20(19)24-23-18;1-12(2)18(11-25)22-21(26)16-9-10-17-19-15(16)8-7-13-5-3-4-6-14(13)20(19)24-23-17;1-12(25)21-10-11-22-20(26)16-8-9-17-18-15(16)7-6-13-4-2-3-5-14(13)19(18)24-23-17;23-19(20-12-8-9-12)15-5-2-4-14-13(15)10-7-11-3-1-6-16-17(11)18(14)22-21-16/h1-6,9-12H,7-8,13H2,(H,24,27)(H,25,26);1-11H,12H2,(H,22,25)(H,23,24);1-6,9-11H,7-8,12H2,(H,22,25)(H,23,24);3-6,9-10,12,18,25H,7-8,11H2,1-2H3,(H,22,26)(H,23,24);2-5,8-9H,6-7,10-11H2,1H3,(H,21,25)(H,22,26)(H,23,24);1-7,10,12H,8-9H2,(H,20,23)(H,21,22).

What are the key properties of N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide?

N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide has a molecular weight of 2038.36 g/mol, XLogP of 20.62, 19 rotatable bonds, 14 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidoethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-cyclopropyl-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(furan-2-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,8,10(17),11,13-octaene-6-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide;N-(pyridin-3-ylmethyl)-15,16-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,12,14(17)-heptaene-11-carboxamide is sourced from PubChem (CID 157401072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).