(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone

C16H21NO3 — CID 2993576

IUPAC(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1cccc(C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H21NO3/c1-4-8-19-15-7-5-6-14(9-15)16(18)17-10-12(2)20-13(3)11-17/h4-7,9,12-13H,1,8,10-11H2,2-3H3
InChIKeyDGKQNRUUMLOBCX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.50
Rot. Bonds4

About (2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone

(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone (PubChem CID 2993576) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
PubChem CID2993576
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1cccc(C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H21NO3/c1-4-8-19-15-7-5-6-14(9-15)16(18)17-10-12(2)20-13(3)11-17/h4-7,9,12-13H,1,8,10-11H2,2-3H3
InChIKeyDGKQNRUUMLOBCX-UHFFFAOYSA-N
XLogP2.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.50
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-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993266
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8815293
2-[3-[2-methyl-6-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]acetic acid
CID 138032586
(2,6-dimethylmorpholin-4-yl)-[3-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830488
(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
CID 102938425
[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-prop-2-enoxyphenyl)methanone
CID 72940098
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone
CID 95739221
[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102938275
(3-prop-2-enoxyphenyl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 131950145
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone (CID 2993576) is (2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone is C=CCOc1cccc(C(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone?
The InChIKey is DGKQNRUUMLOBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-8-19-15-7-5-6-14(9-15)16(18)17-10-12(2)20-13(3)11-17/h4-7,9,12-13H,1,8,10-11H2,2-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone?
(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone has a molecular weight of 275.35 g/mol, XLogP of 2.50, 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)-(3-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 2993576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).