1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide

C41H54N4O2 — CID 11643106

About 1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide

1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide (PubChem CID 11643106) has the molecular formula C41H54N4O2 and a molecular weight of 634.91 g/mol. Its IUPAC name is 1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

• Compound Name: 1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide
• PubChem CID: 11643106
• Molecular Formula: C41H54N4O2
• Molecular Weight: 634.91 g/mol
• Exact Mass: 634.42
• IUPAC Name: 1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide
• SMILES: O=C(NC1CCC(CCN2C3CCC2c2ccccc23)CC1)C1CC1C(=O)NC1CCC(CCN2C3CCC2c2ccccc23)CC1
• InChI: InChI=1S/C41H54N4O2/c46-40(42-28-13-9-26(10-14-28)21-23-44-36-17-18-37(44)31-6-2-1-5-30(31)36)34-25-35(34)41(47)43-29-15-11-27(12-16-29)22-24-45-38-19-20-39(45)33-8-4-3-7-32(33)38/h1-8,26-29,34-39H,9-25H2,(H,42,46)(H,43,47)
• InChIKey: FQIOAMRSSYDCIJ-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.91
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide?

The IUPAC name of 1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide (CID 11643106) is 1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide.

What is the SMILES notation for 1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide?

The canonical SMILES for 1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide is O=C(NC1CCC(CCN2C3CCC2c2ccccc23)CC1)C1CC1C(=O)NC1CCC(CCN2C3CCC2c2ccccc23)CC1.

What is the InChIKey of 1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide?

The InChIKey is FQIOAMRSSYDCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H54N4O2/c46-40(42-28-13-9-26(10-14-28)21-23-44-36-17-18-37(44)31-6-2-1-5-30(31)36)34-25-35(34)41(47)43-29-15-11-27(12-16-29)22-24-45-38-19-20-39(45)33-8-4-3-7-32(33)38/h1-8,26-29,34-39H,9-25H2,(H,42,46)(H,43,47).

What are the key properties of 1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide?

1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 634.91 g/mol, XLogP of 7.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,2-N-bis[4-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]cyclohexyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 11643106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).