2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide

C18H32N2O2 — CID 97039150

IUPAC2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide
SMILESC[C@@H]1CN(CCCCNC(=O)CC2=CCCCC2)C[C@@H](C)O1
InChIInChI=1S/C18H32N2O2/c1-15-13-20(14-16(2)22-15)11-7-6-10-19-18(21)12-17-8-4-3-5-9-17/h8,15-16H,3-7,9-14H2,1-2H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyQDWDTWURSBRCJV-HZPDHXFCSA-N
MW308.47 g/mol
LogP2.88
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide

2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide (PubChem CID 97039150) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide
PubChem CID97039150
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide
SMILESC[C@@H]1CN(CCCCNC(=O)CC2=CCCCC2)C[C@@H](C)O1
InChIInChI=1S/C18H32N2O2/c1-15-13-20(14-16(2)22-15)11-7-6-10-19-18(21)12-17-8-4-3-5-9-17/h8,15-16H,3-7,9-14H2,1-2H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyQDWDTWURSBRCJV-HZPDHXFCSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(cyclohexen-1-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111433969
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17398689
6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
CID 63565537
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 51953215
2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
CID 63563665
2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 110022186
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
CID 119858913
1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858866
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 172615647
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide
CID 95974785

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide (CID 97039150) is 2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide is C[C@@H]1CN(CCCCNC(=O)CC2=CCCCC2)C[C@@H](C)O1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide?
The InChIKey is QDWDTWURSBRCJV-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-15-13-20(14-16(2)22-15)11-7-6-10-19-18(21)12-17-8-4-3-5-9-17/h8,15-16H,3-7,9-14H2,1-2H3,(H,19,21)/t15-,16-/m1/s1.
What are the key properties of 2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide?
2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide has a molecular weight of 308.47 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide is sourced from PubChem (CID 97039150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).