5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride

C20H30ClNO4 — CID 69245074

IUPAC5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride
SMILESCCOc1ccc(C=CC(=O)CCN2CC(C)OC(C)C2)cc1OC.Cl
InChIInChI=1S/C20H29NO4.ClH/c1-5-24-19-9-7-17(12-20(19)23-4)6-8-18(22)10-11-21-13-15(2)25-16(3)14-21;/h6-9,12,15-16H,5,10-11,13-14H2,1-4H3;1H
InChIKeyRYPUUZZCPOCYJA-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.60
Rot. Bonds8

About 5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride

5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride (PubChem CID 69245074) has the molecular formula C20H30ClNO4 and a molecular weight of 383.92 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride
PubChem CID69245074
Molecular FormulaC20H30ClNO4
Molecular Weight383.92 g/mol
Exact Mass383.19
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride
SMILESCCOc1ccc(C=CC(=O)CCN2CC(C)OC(C)C2)cc1OC.Cl
InChIInChI=1S/C20H29NO4.ClH/c1-5-24-19-9-7-17(12-20(19)23-4)6-8-18(22)10-11-21-13-15(2)25-16(3)14-21;/h6-9,12,15-16H,5,10-11,13-14H2,1-4H3;1H
InChIKeyRYPUUZZCPOCYJA-UHFFFAOYSA-N
XLogP3.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R,6R)-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-2,6-dimethylmorpholine
CID 7413033
(1E,6E)-1-(4-ethoxy-3-methoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 176896377
1-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-methoxyphenyl]ethanone
CID 7379476
1-(3-ethoxy-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 67010274
7-(3,4-dimethoxyphenyl)hept-6-ene-2,5-dione
CID 68770825
(E)-3-[3-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-methoxyphenyl]prop-2-enoic acid
CID 16642404
1-(3,4-dimethoxyphenyl)pent-1-en-3-one
CID 85437711
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
(E)-1-(1-adamantyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one
CID 167771098
(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19171796
(E)-3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-methoxyphenyl]prop-2-enoate
CID 9160639
1-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 30880354

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride (CID 69245074) is 5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride is CCOc1ccc(C=CC(=O)CCN2CC(C)OC(C)C2)cc1OC.Cl.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride?
The InChIKey is RYPUUZZCPOCYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4.ClH/c1-5-24-19-9-7-17(12-20(19)23-4)6-8-18(22)10-11-21-13-15(2)25-16(3)14-21;/h6-9,12,15-16H,5,10-11,13-14H2,1-4H3;1H.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride?
5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxy-3-methoxyphenyl)pent-1-en-3-one;hydrochloride is sourced from PubChem (CID 69245074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).