2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide

C64H82N10O8 — CID 157162782

About 2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide

2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide (PubChem CID 157162782) has the molecular formula C64H82N10O8 and a molecular weight of 1119.42 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide
• PubChem CID: 157162782
• Molecular Formula: C64H82N10O8
• Molecular Weight: 1119.42 g/mol
• Exact Mass: 1118.63
• IUPAC Name: 2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide
• SMILES: CC(C)CC(=O)CCCOCCn1nnc2c1-c1ccccc1CN(C(=O)CCNC(=O)C(C)C)c1ccccc1-2.CC(C)CC(=O)CCCOCCn1nnc2c1-c1ccccc1N(C(=O)CCNC(=O)C(C)C)Cc1ccccc1-2
• InChI: InChI=1S/2C32H41N5O4/c1-22(2)20-25(38)11-9-18-41-19-17-37-31-26-12-6-5-10-24(26)21-36(29(39)15-16-33-32(40)23(3)4)28-14-8-7-13-27(28)30(31)34-35-37;1-22(2)20-25(38)11-9-18-41-19-17-37-31-27-13-7-8-14-28(27)36(29(39)15-16-33-32(40)23(3)4)21-24-10-5-6-12-26(24)30(31)34-35-37/h2*5-8,10,12-14,22-23H,9,11,15-21H2,1-4H3,(H,33,40)
• InChIKey: AMOGONSRZXUYQC-UHFFFAOYSA-N
• XLogP: 10.07
• TPSA: 212.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1119.42
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide?

The IUPAC name of 2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide (CID 157162782) is 2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide.

What is the SMILES notation for 2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide?

The canonical SMILES for 2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide is CC(C)CC(=O)CCCOCCn1nnc2c1-c1ccccc1CN(C(=O)CCNC(=O)C(C)C)c1ccccc1-2.CC(C)CC(=O)CCCOCCn1nnc2c1-c1ccccc1N(C(=O)CCNC(=O)C(C)C)Cc1ccccc1-2.

What is the InChIKey of 2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide?

The InChIKey is AMOGONSRZXUYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H41N5O4/c1-22(2)20-25(38)11-9-18-41-19-17-37-31-26-12-6-5-10-24(26)21-36(29(39)15-16-33-32(40)23(3)4)28-14-8-7-13-27(28)30(31)34-35-37;1-22(2)20-25(38)11-9-18-41-19-17-37-31-27-13-7-8-14-28(27)36(29(39)15-16-33-32(40)23(3)4)21-24-10-5-6-12-26(24)30(31)34-35-37/h2*5-8,10,12-14,22-23H,9,11,15-21H2,1-4H3,(H,33,40).

What are the key properties of 2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide?

2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide has a molecular weight of 1119.42 g/mol, XLogP of 10.07, 26 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-[3-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide;2-methyl-N-[3-[5-[2-(6-methyl-4-oxoheptoxy)ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-3-oxopropyl]propanamide is sourced from PubChem (CID 157162782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).