2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

C18H27NO4 — CID 129486314

IUPAC2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2C[C@H](COC)OC(C)(C)C2)cc1
InChIInChI=1S/C18H27NO4/c1-5-22-15-8-6-14(7-9-15)10-17(20)19-11-16(12-21-4)23-18(2,3)13-19/h6-9,16H,5,10-13H2,1-4H3/t16-/m1/s1
InChIKeyZOAQJHVXLOSIKR-MRXNPFEDSA-N
MW321.42 g/mol
LogP2.28
Rot. Bonds6

About 2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (PubChem CID 129486314) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
PubChem CID129486314
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2C[C@H](COC)OC(C)(C)C2)cc1
InChIInChI=1S/C18H27NO4/c1-5-22-15-8-6-14(7-9-15)10-17(20)19-11-16(12-21-4)23-18(2,3)13-19/h6-9,16H,5,10-13H2,1-4H3/t16-/m1/s1
InChIKeyZOAQJHVXLOSIKR-MRXNPFEDSA-N
XLogP2.28
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (CID 129486314) is 2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is CCOc1ccc(CC(=O)N2C[C@H](COC)OC(C)(C)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The InChIKey is ZOAQJHVXLOSIKR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27NO4/c1-5-22-15-8-6-14(7-9-15)10-17(20)19-11-16(12-21-4)23-18(2,3)13-19/h6-9,16H,5,10-13H2,1-4H3/t16-/m1/s1.
What are the key properties of 2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone has a molecular weight of 321.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 129486314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).