1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one

C16H23NO3 — CID 3246757

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C16H23NO3/c1-12-10-17(11-13(2)20-12)16(18)9-6-14-4-7-15(19-3)8-5-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3
InChIKeyOXHRXNRVMOJYIQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.26
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 3246757) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID3246757
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C16H23NO3/c1-12-10-17(11-13(2)20-12)16(18)9-6-14-4-7-15(19-3)8-5-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3
InChIKeyOXHRXNRVMOJYIQ-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one (CID 3246757) is 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is OXHRXNRVMOJYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-10-17(11-13(2)20-12)16(18)9-6-14-4-7-15(19-3)8-5-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 3246757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).