N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide

C145H172Cl3N13O24S — CID 158413371

About N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide

N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 158413371) has the molecular formula C145H172Cl3N13O24S and a molecular weight of 2619.46 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 158413371
• Molecular Formula: C145H172Cl3N13O24S
• Molecular Weight: 2619.46 g/mol
• Exact Mass: 2616.14
• IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide
• SMILES: CC(C)CNC(=O)C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O.CN1C[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C1=O.O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1.O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCC1CCCCC1.O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)nc1.O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1cccs1
• InChI: InChI=1S/C26H29ClN2O4.C25H27ClN2O4.C25H34N2O4.C24H26ClN3O4.C23H26N2O4S.C22H30N2O4/c1-29-18-23(20-8-4-2-5-9-20)33-25(31)11-7-3-6-10-21(26(29)32)16-24(30)28-17-19-12-14-22(27)15-13-19;26-21-13-11-18(12-14-21)16-27-24(30)15-20-9-5-2-6-10-23(29)28-22(17-32-25(20)31)19-7-3-1-4-8-19;28-23(26-17-19-10-4-1-5-11-19)16-21-14-8-3-9-15-24(29)31-22(18-27-25(21)30)20-12-6-2-7-13-20;25-21-12-11-17(14-26-21)15-27-22(29)13-19-9-5-2-6-10-23(30)32-20(16-28-24(19)31)18-7-3-1-4-8-18;26-21(24-15-19-11-7-13-30-19)14-18-10-5-2-6-12-22(27)29-20(16-25-23(18)28)17-8-3-1-4-9-17;1-16(2)14-23-20(25)13-18-11-7-4-8-12-21(26)28-19(15-24-22(18)27)17-9-5-3-6-10-17/h2-6,8-9,12-15,21,23H,7,10-11,16-18H2,1H3,(H,28,30);1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,30)(H,28,29);2-3,6-8,12-13,19,21-22H,1,4-5,9-11,14-18H2,(H,26,28)(H,27,30);1-5,7-8,11-12,14,19-20H,6,9-10,13,15-16H2,(H,27,29)(H,28,31);1-5,7-9,11,13,18,20H,6,10,12,14-16H2,(H,24,26)(H,25,28);3-7,9-10,16,18-19H,8,11-15H2,1-2H3,(H,23,25)(H,24,27)/b6-3+;5-2+;8-3+;2*5-2+;7-4+/t21-,23-;20-,22-;21-,22-;19-,20-;18-,20-;18-,19-/m000000/s1
• InChIKey: GZOUZYQSXLOHLK-LTIWDVSOSA-N
• XLogP: 22.29
• TPSA: 511.10 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2619.46
LogP ≤ 5	22.29
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 158413371) is N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide is CC(C)CNC(=O)C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O.CN1C[C@@H](c2ccccc2)OC(=O)CC/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C1=O.O=C(C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1.O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCC1CCCCC1.O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)nc1.O=C(C[C@@H]1C/C=C/CCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1cccs1.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is GZOUZYQSXLOHLK-LTIWDVSOSA-N. The full InChI is InChI=1S/C26H29ClN2O4.C25H27ClN2O4.C25H34N2O4.C24H26ClN3O4.C23H26N2O4S.C22H30N2O4/c1-29-18-23(20-8-4-2-5-9-20)33-25(31)11-7-3-6-10-21(26(29)32)16-24(30)28-17-19-12-14-22(27)15-13-19;26-21-13-11-18(12-14-21)16-27-24(30)15-20-9-5-2-6-10-23(29)28-22(17-32-25(20)31)19-7-3-1-4-8-19;28-23(26-17-19-10-4-1-5-11-19)16-21-14-8-3-9-15-24(29)31-22(18-27-25(21)30)20-12-6-2-7-13-20;25-21-12-11-17(14-26-21)15-27-22(29)13-19-9-5-2-6-10-23(30)32-20(16-28-24(19)31)18-7-3-1-4-8-18;26-21(24-15-19-11-7-13-30-19)14-18-10-5-2-6-12-22(27)29-20(16-25-23(18)28)17-8-3-1-4-9-17;1-16(2)14-23-20(25)13-18-11-7-4-8-12-21(26)28-19(15-24-22(18)27)17-9-5-3-6-10-17/h2-6,8-9,12-15,21,23H,7,10-11,16-18H2,1H3,(H,28,30);1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,30)(H,28,29);2-3,6-8,12-13,19,21-22H,1,4-5,9-11,14-18H2,(H,26,28)(H,27,30);1-5,7-8,11-12,14,19-20H,6,9-10,13,15-16H2,(H,27,29)(H,28,31);1-5,7-9,11,13,18,20H,6,10,12,14-16H2,(H,24,26)(H,25,28);3-7,9-10,16,18-19H,8,11-15H2,1-2H3,(H,23,25)(H,24,27)/b6-3+;5-2+;8-3+;2*5-2+;7-4+/t21-,23-;20-,22-;21-,22-;19-,20-;18-,20-;18-,19-/m000000/s1.

What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide?

N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 2619.46 g/mol, XLogP of 22.29, 30 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide;N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-4-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;N-(cyclohexylmethyl)-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-methylpropyl)acetamide;2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 158413371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).