(2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one

C19H29NO3 — CID 6554590

IUPAC(2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1
InChIInChI=1S/C19H29NO3/c1-13-11-20(12-14(2)22-13)18(21)15(3)23-17-9-7-16(8-10-17)19(4,5)6/h7-10,13-15H,11-12H2,1-6H3/t13-,14-,15-/m1/s1
InChIKeyGLEJEGGYGMSRHK-RBSFLKMASA-N
MW319.44 g/mol
LogP3.39
Rot. Bonds3

About (2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one

(2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one (PubChem CID 6554590) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
PubChem CID6554590
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1
InChIInChI=1S/C19H29NO3/c1-13-11-20(12-14(2)22-13)18(21)15(3)23-17-9-7-16(8-10-17)19(4,5)6/h7-10,13-15H,11-12H2,1-6H3/t13-,14-,15-/m1/s1
InChIKeyGLEJEGGYGMSRHK-RBSFLKMASA-N
XLogP3.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one with MolForge

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Related Compounds

(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one
CID 51704521
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119177809
(2R)-2-(4-tert-butylphenoxy)-1-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 97213552
(2S)-2-(4-tert-butylphenoxy)-1-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 97213549
(2S)-2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 7428494
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534667
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
2-(4-tert-butylphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395820
(2S)-2-(2,4-dichlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25405954
(2R)-2-(2,4-difluorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 39891493
1-(2,6-dimethylmorpholin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
CID 112787778

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one (CID 6554590) is (2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one is C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The InChIKey is GLEJEGGYGMSRHK-RBSFLKMASA-N. The full InChI is InChI=1S/C19H29NO3/c1-13-11-20(12-14(2)22-13)18(21)15(3)23-17-9-7-16(8-10-17)19(4,5)6/h7-10,13-15H,11-12H2,1-6H3/t13-,14-,15-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one?
(2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one has a molecular weight of 319.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 6554590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).