(2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone

C17H23NO3 — CID 6472543

IUPAC(2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone
SMILESC=C(C)COc1ccc(C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H23NO3/c1-12(2)11-20-16-7-5-15(6-8-16)17(19)18-9-13(3)21-14(4)10-18/h5-8,13-14H,1,9-11H2,2-4H3
InChIKeyPNPLHUWVTVEYRN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.89
Rot. Bonds4

About (2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone

(2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone (PubChem CID 6472543) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone
PubChem CID6472543
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone
SMILESC=C(C)COc1ccc(C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H23NO3/c1-12(2)11-20-16-7-5-15(6-8-16)17(19)18-9-13(3)21-14(4)10-18/h5-8,13-14H,1,9-11H2,2-4H3
InChIKeyPNPLHUWVTVEYRN-UHFFFAOYSA-N
XLogP2.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 78774258
[4-[(2-chlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8814188
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
[2-(hydroxymethyl)piperidin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 46986550
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 40696784
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 18108400
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 6472277
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(4-methoxyphenyl)methanone
CID 102938451

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone (CID 6472543) is (2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone is C=C(C)COc1ccc(C(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone?
The InChIKey is PNPLHUWVTVEYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(2)11-20-16-7-5-15(6-8-16)17(19)18-9-13(3)21-14(4)10-18/h5-8,13-14H,1,9-11H2,2-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone?
(2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone has a molecular weight of 289.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone is sourced from PubChem (CID 6472543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).