1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone

C20H32N2O3 — CID 134705982

IUPAC1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
SMILESCOCCN(C)CC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)(C)C)C1
InChIInChI=1S/C20H32N2O3/c1-20(2,3)18-14-22(19(23)15-21(4)11-12-24-5)13-17(25-18)16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3/t17-,18+/m0/s1
InChIKeyWZGBOSYWCZIJLR-ZWKOTPCHSA-N
MW348.49 g/mol
LogP2.58
Rot. Bonds6

About 1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone

1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone (PubChem CID 134705982) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
PubChem CID134705982
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
SMILESCOCCN(C)CC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)(C)C)C1
InChIInChI=1S/C20H32N2O3/c1-20(2,3)18-14-22(19(23)15-21(4)11-12-24-5)13-17(25-18)16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3/t17-,18+/m0/s1
InChIKeyWZGBOSYWCZIJLR-ZWKOTPCHSA-N
XLogP2.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone?
The IUPAC name of 1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone (CID 134705982) is 1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone?
The canonical SMILES for 1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone is COCCN(C)CC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)(C)C)C1.
What is the InChIKey of 1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone?
The InChIKey is WZGBOSYWCZIJLR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-20(2,3)18-14-22(19(23)15-21(4)11-12-24-5)13-17(25-18)16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3/t17-,18+/m0/s1.
What are the key properties of 1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone?
1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone has a molecular weight of 348.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-[2-methoxyethyl(methyl)amino]ethanone is sourced from PubChem (CID 134705982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).