(E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide

C16H28N2O2 — CID 166318346

IUPAC(E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide
SMILESCC1CCCC(C)C1NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C16H28N2O2/c1-13-5-3-6-14(2)16(13)17-15(19)7-4-8-18-9-11-20-12-10-18/h4,7,13-14,16H,3,5-6,8-12H2,1-2H3,(H,17,19)/b7-4+
InChIKeyYUCLMOQFPKKCAO-QPJJXVBHSA-N
MW280.41 g/mol
LogP1.82
Rot. Bonds4

About (E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide

(E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide (PubChem CID 166318346) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide
PubChem CID166318346
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide
SMILESCC1CCCC(C)C1NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C16H28N2O2/c1-13-5-3-6-14(2)16(13)17-15(19)7-4-8-18-9-11-20-12-10-18/h4,7,13-14,16H,3,5-6,8-12H2,1-2H3,(H,17,19)/b7-4+
InChIKeyYUCLMOQFPKKCAO-QPJJXVBHSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide?
The IUPAC name of (E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide (CID 166318346) is (E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for (E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide?
The canonical SMILES for (E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide is CC1CCCC(C)C1NC(=O)/C=C/CN1CCOCC1.
What is the InChIKey of (E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide?
The InChIKey is YUCLMOQFPKKCAO-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13-5-3-6-14(2)16(13)17-15(19)7-4-8-18-9-11-20-12-10-18/h4,7,13-14,16H,3,5-6,8-12H2,1-2H3,(H,17,19)/b7-4+.
What are the key properties of (E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide?
(E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide has a molecular weight of 280.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 166318346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).