ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane

C35H64N4O — CID 142809657

About ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane

ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane (PubChem CID 142809657) has the molecular formula C35H64N4O and a molecular weight of 556.92 g/mol. Its IUPAC name is ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane.

Molecular Properties

• Compound Name: ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane
• PubChem CID: 142809657
• Molecular Formula: C35H64N4O
• Molecular Weight: 556.92 g/mol
• Exact Mass: 556.51
• IUPAC Name: ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane
• SMILES: CC.CC.CC.CCCCC.CCNCCNc1ccc2c(NC(=O)CC3C=C(C(C)C)CCC3)cccc2n1
• InChI: InChI=1S/C24H34N4O.C5H12.3C2H6/c1-4-25-13-14-26-23-12-11-20-21(27-23)9-6-10-22(20)28-24(29)16-18-7-5-8-19(15-18)17(2)3;1-3-5-4-2;3*1-2/h6,9-12,15,17-18,25H,4-5,7-8,13-14,16H2,1-3H3,(H,26,27)(H,28,29);3-5H2,1-2H3;3*1-2H3
• InChIKey: YLYWKYHTXGFSEP-UHFFFAOYSA-N
• XLogP: 10.24
• TPSA: 66.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.92
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane?

The IUPAC name of ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane (CID 142809657) is ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane.

What is the SMILES notation for ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane?

The canonical SMILES for ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane is CC.CC.CC.CCCCC.CCNCCNc1ccc2c(NC(=O)CC3C=C(C(C)C)CCC3)cccc2n1.

What is the InChIKey of ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane?

The InChIKey is YLYWKYHTXGFSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O.C5H12.3C2H6/c1-4-25-13-14-26-23-12-11-20-21(27-23)9-6-10-22(20)28-24(29)16-18-7-5-8-19(15-18)17(2)3;1-3-5-4-2;3*1-2/h6,9-12,15,17-18,25H,4-5,7-8,13-14,16H2,1-3H3,(H,26,27)(H,28,29);3-5H2,1-2H3;3*1-2H3.

What are the key properties of ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane?

ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane has a molecular weight of 556.92 g/mol, XLogP of 10.24, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[2-[2-(ethylamino)ethylamino]quinolin-5-yl]-2-(3-propan-2-ylcyclohex-2-en-1-yl)acetamide;pentane is sourced from PubChem (CID 142809657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).