2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide

C16H28N2O3 — CID 111912368

IUPAC2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide
SMILESCN(CC(O)CN1CCOCC1)C(=O)CC1=CCCCC1
InChIInChI=1S/C16H28N2O3/c1-17(16(20)11-14-5-3-2-4-6-14)12-15(19)13-18-7-9-21-10-8-18/h5,15,19H,2-4,6-13H2,1H3
InChIKeyINQLBXYCYVFKEB-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.03
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide

2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide (PubChem CID 111912368) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide
PubChem CID111912368
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide
SMILESCN(CC(O)CN1CCOCC1)C(=O)CC1=CCCCC1
InChIInChI=1S/C16H28N2O3/c1-17(16(20)11-14-5-3-2-4-6-14)12-15(19)13-18-7-9-21-10-8-18/h5,15,19H,2-4,6-13H2,1H3
InChIKeyINQLBXYCYVFKEB-UHFFFAOYSA-N
XLogP1.03
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3,4,4-tetramethylpentanamide
CID 111912430
2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid
CID 63563829
3-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbutanamide
CID 111912372
2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
CID 63565557
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide
CID 111912435
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide
CID 111912473
2-chloro-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbenzamide
CID 111912534
2-[1-[[2-(cyclohexen-1-yl)acetyl]-methylamino]cyclohexyl]acetic acid
CID 65242966
2-[[[2-(cyclohexen-1-yl)ethylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769606
3-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,4-dimethylbenzamide
CID 111912448
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
6-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 166210641

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide (CID 111912368) is 2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide is CN(CC(O)CN1CCOCC1)C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide?
The InChIKey is INQLBXYCYVFKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-17(16(20)11-14-5-3-2-4-6-14)12-15(19)13-18-7-9-21-10-8-18/h5,15,19H,2-4,6-13H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide?
2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide has a molecular weight of 296.41 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide is sourced from PubChem (CID 111912368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).