2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone

C18H25NO3 — CID 82052122

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
SMILESC=CCOc1ccc(C)cc1C(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C18H25NO3/c1-5-8-21-18-7-6-13(2)9-16(18)17(20)12-19-10-14(3)22-15(4)11-19/h5-7,9,14-15H,1,8,10-12H2,2-4H3
InChIKeyABOMWSUCQWDUQA-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.85
Rot. Bonds6

About 2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone

2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone (PubChem CID 82052122) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
PubChem CID82052122
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
SMILESC=CCOc1ccc(C)cc1C(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C18H25NO3/c1-5-8-21-18-7-6-13(2)9-16(18)17(20)12-19-10-14(3)22-15(4)11-19/h5-7,9,14-15H,1,8,10-12H2,2-4H3
InChIKeyABOMWSUCQWDUQA-UHFFFAOYSA-N
XLogP2.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone 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

2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
CID 93192801
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2,5-dimethylphenyl)ethanone
CID 93026027
2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227111
1-(5-methyl-2-prop-2-enoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052110
2-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82053854
2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
1-(5-methyl-2-prop-2-enoxyphenyl)-2-propylsulfanylethanone
CID 82052126
1-(2,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 82050461
(2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide
CID 97151706
2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 2995550
(2R,6R)-2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 7379931
2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82051568

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone (CID 82052122) is 2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone is C=CCOc1ccc(C)cc1C(=O)CN1CC(C)OC(C)C1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone?
The InChIKey is ABOMWSUCQWDUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-5-8-21-18-7-6-13(2)9-16(18)17(20)12-19-10-14(3)22-15(4)11-19/h5-7,9,14-15H,1,8,10-12H2,2-4H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone?
2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone has a molecular weight of 303.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone is sourced from PubChem (CID 82052122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).