4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide

C25H44N2O5 — CID 166497237

IUPAC4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide
SMILESCC(C)(C)C#CCOCCNC(=O)C1CCC(C(=O)NCCOCCOC(C)(C)C)CC1
InChIInChI=1S/C25H44N2O5/c1-24(2,3)12-7-15-30-16-13-26-22(28)20-8-10-21(11-9-20)23(29)27-14-17-31-18-19-32-25(4,5)6/h20-21H,8-11,13-19H2,1-6H3,(H,26,28)(H,27,29)
InChIKeyZBOLYHDFZUEEFL-UHFFFAOYSA-N
MW452.64 g/mol
LogP2.92
Rot. Bonds12

About 4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide

4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 166497237) has the molecular formula C25H44N2O5 and a molecular weight of 452.64 g/mol. Its IUPAC name is 4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID166497237
Molecular FormulaC25H44N2O5
Molecular Weight452.64 g/mol
Exact Mass452.33
IUPAC Name4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide
SMILESCC(C)(C)C#CCOCCNC(=O)C1CCC(C(=O)NCCOCCOC(C)(C)C)CC1
InChIInChI=1S/C25H44N2O5/c1-24(2,3)12-7-15-30-16-13-26-22(28)20-8-10-21(11-9-20)23(29)27-14-17-31-18-19-32-25(4,5)6/h20-21H,8-11,13-19H2,1-6H3,(H,26,28)(H,27,29)
InChIKeyZBOLYHDFZUEEFL-UHFFFAOYSA-N
XLogP2.92
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.64
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[2-[2-[2-(2-ethylhexanoylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 23546467
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-methylpropyl)cyclohexane-1-carboxamide
CID 68163924
4-ethyl-N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]cyclohexane-1-carboxamide
CID 68164997
4-ethyl-N-[2-(2-propoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 89662255
4-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]cyclohexane-1-carboxamide
CID 139562802
4-[(4-methylcyclohexanecarbonyl)amino]-4-[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propyl]-N,N'-bis[2-(2-prop-2-ynoxyethoxy)ethyl]heptanediamide
CID 153336262
4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 156682824
2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 156682837
N-[2-[2-[2-[2-[2-(cyclohexanecarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]cyclohexanecarboxamide
CID 162768934
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-(4-oxocyclohexyl)acetamide
CID 163279129
2,3-dimethylbutane;ethane;4-N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]cyclohexane-1,4-dicarboxamide;2,5,5,7-tetramethyloct-3-yne;2,2,4-trimethylpentan-1-ol
CID 166130814
4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane-1,4-dicarboxamide
CID 166130881

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide (CID 166497237) is 4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide is CC(C)(C)C#CCOCCNC(=O)C1CCC(C(=O)NCCOCCOC(C)(C)C)CC1.
What is the InChIKey of 4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is ZBOLYHDFZUEEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O5/c1-24(2,3)12-7-15-30-16-13-26-22(28)20-8-10-21(11-9-20)23(29)27-14-17-31-18-19-32-25(4,5)6/h20-21H,8-11,13-19H2,1-6H3,(H,26,28)(H,27,29).
What are the key properties of 4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide?
4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 452.64 g/mol, XLogP of 2.92, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4,4-dimethylpent-2-ynoxy)ethyl]-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 166497237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).