(1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane

C27H42N2O2 — CID 144544353

IUPAC(1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane
SMILESCC.CC1/C=C\C(C(=O)NC2CCCCC2)=C/C/C=C(C(=O)NC2CCCCC2)\C=C/1
InChIInChI=1S/C25H36N2O2.C2H6/c1-19-15-17-20(24(28)26-22-11-4-2-5-12-22)9-8-10-21(18-16-19)25(29)27-23-13-6-3-7-14-23;1-2/h9-10,15-19,22-23H,2-8,11-14H2,1H3,(H,26,28)(H,27,29);1-2H3/b17-15-,18-16-,20-9+,21-10+;
InChIKeyKJZDPCQIZBSRPI-DPLPZWCISA-N
MW426.65 g/mol
LogP5.92
Rot. Bonds4

About (1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane

(1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane (PubChem CID 144544353) has the molecular formula C27H42N2O2 and a molecular weight of 426.65 g/mol. Its IUPAC name is (1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane.

Molecular Properties

Compound Name(1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane
PubChem CID144544353
Molecular FormulaC27H42N2O2
Molecular Weight426.65 g/mol
Exact Mass426.32
IUPAC Name(1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane
SMILESCC.CC1/C=C\C(C(=O)NC2CCCCC2)=C/C/C=C(C(=O)NC2CCCCC2)\C=C/1
InChIInChI=1S/C25H36N2O2.C2H6/c1-19-15-17-20(24(28)26-22-11-4-2-5-12-22)9-8-10-21(18-16-19)25(29)27-23-13-6-3-7-14-23;1-2/h9-10,15-19,22-23H,2-8,11-14H2,1H3,(H,26,28)(H,27,29);1-2H3/b17-15-,18-16-,20-9+,21-10+;
InChIKeyKJZDPCQIZBSRPI-DPLPZWCISA-N
XLogP5.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide
CID 70944232
N-cyclooctyl-4-methylbenzamide
CID 3995245
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 53299094
N-cyclohexyl-2-methylidene-1H-pyrimidine-5-carboxamide
CID 89463708
N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586

Frequently Asked Questions

What is the IUPAC name of (1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane?
The IUPAC name of (1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane (CID 144544353) is (1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane.
What is the SMILES notation for (1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane?
The canonical SMILES for (1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane is CC.CC1/C=C\C(C(=O)NC2CCCCC2)=C/C/C=C(C(=O)NC2CCCCC2)\C=C/1.
What is the InChIKey of (1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane?
The InChIKey is KJZDPCQIZBSRPI-DPLPZWCISA-N. The full InChI is InChI=1S/C25H36N2O2.C2H6/c1-19-15-17-20(24(28)26-22-11-4-2-5-12-22)9-8-10-21(18-16-19)25(29)27-23-13-6-3-7-14-23;1-2/h9-10,15-19,22-23H,2-8,11-14H2,1H3,(H,26,28)(H,27,29);1-2H3/b17-15-,18-16-,20-9+,21-10+;.
What are the key properties of (1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane?
(1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane has a molecular weight of 426.65 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E,6Z,9Z)-1-N,5-N-dicyclohexyl-8-methylcyclodeca-1,4,6,9-tetraene-1,5-dicarboxamide;ethane is sourced from PubChem (CID 144544353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).