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

C23H42N2O4 — CID 166497234

IUPAC4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide
SMILESCC(C)(C)C=CCNC(=O)C1CCC(C(=O)NCCOCCOC(C)(C)C)CC1
InChIInChI=1S/C23H42N2O4/c1-22(2,3)12-7-13-24-20(26)18-8-10-19(11-9-18)21(27)25-14-15-28-16-17-29-23(4,5)6/h7,12,18-19H,8-11,13-17H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyKJXGGAXUNHIPLE-UHFFFAOYSA-N
MW410.60 g/mol
LogP3.46
Rot. Bonds10

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

4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 166497234) has the molecular formula C23H42N2O4 and a molecular weight of 410.60 g/mol. Its IUPAC name is 4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID166497234
Molecular FormulaC23H42N2O4
Molecular Weight410.60 g/mol
Exact Mass410.31
IUPAC Name4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide
SMILESCC(C)(C)C=CCNC(=O)C1CCC(C(=O)NCCOCCOC(C)(C)C)CC1
InChIInChI=1S/C23H42N2O4/c1-22(2,3)12-7-13-24-20(26)18-8-10-19(11-9-18)21(27)25-14-15-28-16-17-29-23(4,5)6/h7,12,18-19H,8-11,13-17H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyKJXGGAXUNHIPLE-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
tert-butyl N-[2-[2-[2-[[3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexanecarbonyl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 23626027
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 62806612
4-ethyl-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]cyclohexane-1-carboxamide
CID 157185974
N-[2-[2-[2-(cyclopentylamino)ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
CID 166816681
3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
N-[2-(2-aminoethoxy)ethyl]-4-butylcyclohexane-1-carboxamide
CID 63754103
tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate
CID 142616129
N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
CID 176960465
ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide
CID 177054985
N-nona-2,6-dienylcyclopropanecarboxamide
CID 68854459

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide (CID 166497234) is 4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide is CC(C)(C)C=CCNC(=O)C1CCC(C(=O)NCCOCCOC(C)(C)C)CC1.
What is the InChIKey of 4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is KJXGGAXUNHIPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O4/c1-22(2,3)12-7-13-24-20(26)18-8-10-19(11-9-18)21(27)25-14-15-28-16-17-29-23(4,5)6/h7,12,18-19H,8-11,13-17H2,1-6H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide?
4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 410.60 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 166497234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).