(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
CID 177013069
(E)-4-morpholin-4-ylbut-2-enoic acid
CID 22466617
(E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide
CID 163845991
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide
CID 171147093
N-[(1R,2R,3R)-2-hydroxy-3-phenoxycycloheptyl]-4-morpholin-4-ylbut-2-enamide
CID 171147100
(E)-6-(4-cyclopropylpiperazin-1-yl)-2-methylhex-4-en-3-one;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one
CID 159904343
(E)-4-morpholin-4-yl-1-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]but-2-en-1-one
CID 167185991
ethyl (E)-4-(1,4-oxazepan-4-yl)but-2-enoate
CID 80549639
(E)-1-(4-iodo-2,5-dimethylpiperazin-1-yl)-4-morpholin-4-ylbut-2-en-1-one
CID 167185714
4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine
CID 143805483
N-(2-methylcyclopentyl)morpholine-4-carboxamide
CID 115613523
(E)-1-[(3R)-3-[ethyl-(methylideneamino)amino]piperidin-1-yl]-4-morpholin-4-ylbut-2-en-1-one
CID 163658437

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).