ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen

C30H59N3O4 — CID 145076822

About ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen

ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen (PubChem CID 145076822) has the molecular formula C30H59N3O4 and a molecular weight of 525.82 g/mol. Its IUPAC name is ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen
• PubChem CID: 145076822
• Molecular Formula: C30H59N3O4
• Molecular Weight: 525.82 g/mol
• Exact Mass: 525.45
• IUPAC Name: ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen
• SMILES: C.CC.CC.CC1CCN(C(=O)CCCCCNC(=O)C2CCC(CN3C(=O)CC(C)C3=O)CC2)CC1.[H][H]
• InChI: InChI=1S/C25H41N3O4.2C2H6.CH4.H2/c1-18-11-14-27(15-12-18)22(29)6-4-3-5-13-26-24(31)21-9-7-20(8-10-21)17-28-23(30)16-19(2)25(28)32;2*1-2;;/h18-21H,3-17H2,1-2H3,(H,26,31);2*1-2H3;1H4;1H
• InChIKey: WTTMLSAEDQKRJD-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.82
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen?

The IUPAC name of ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen (CID 145076822) is ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen?

The canonical SMILES for ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen is C.CC.CC.CC1CCN(C(=O)CCCCCNC(=O)C2CCC(CN3C(=O)CC(C)C3=O)CC2)CC1.[H][H].

What is the InChIKey of ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen?

The InChIKey is WTTMLSAEDQKRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O4.2C2H6.CH4.H2/c1-18-11-14-27(15-12-18)22(29)6-4-3-5-13-26-24(31)21-9-7-20(8-10-21)17-28-23(30)16-19(2)25(28)32;2*1-2;;/h18-21H,3-17H2,1-2H3,(H,26,31);2*1-2H3;1H4;1H.

What are the key properties of ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen?

ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen has a molecular weight of 525.82 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 145076822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).