1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone

C23H29NO3 — CID 110643790

IUPAC1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CC(Cc3ccccc3)OCC2(C)C)cc1
InChIInChI=1S/C23H29NO3/c1-4-26-20-12-10-19(11-13-20)15-22(25)24-16-21(27-17-23(24,2)3)14-18-8-6-5-7-9-18/h5-13,21H,4,14-17H2,1-3H3
InChIKeyRBRPQAYYUVPMFS-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.88
Rot. Bonds6

About 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone

1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone (PubChem CID 110643790) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
PubChem CID110643790
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CC(Cc3ccccc3)OCC2(C)C)cc1
InChIInChI=1S/C23H29NO3/c1-4-26-20-12-10-19(11-13-20)15-22(25)24-16-21(27-17-23(24,2)3)14-18-8-6-5-7-9-18/h5-13,21H,4,14-17H2,1-3H3
InChIKeyRBRPQAYYUVPMFS-UHFFFAOYSA-N
XLogP3.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone?
The IUPAC name of 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone (CID 110643790) is 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone is CCOc1ccc(CC(=O)N2CC(Cc3ccccc3)OCC2(C)C)cc1.
What is the InChIKey of 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone?
The InChIKey is RBRPQAYYUVPMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-26-20-12-10-19(11-13-20)15-22(25)24-16-21(27-17-23(24,2)3)14-18-8-6-5-7-9-18/h5-13,21H,4,14-17H2,1-3H3.
What are the key properties of 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone?
1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone has a molecular weight of 367.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-5,5-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 110643790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).