(2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one

C18H25NO4 — CID 95040653

IUPAC(2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one
SMILESCC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@H](C)OC(C)(C)C2)c1
InChIInChI=1S/C18H25NO4/c1-12-10-19(11-18(4,5)23-12)17(21)14(3)22-16-8-6-7-15(9-16)13(2)20/h6-9,12,14H,10-11H2,1-5H3/t12-,14+/m0/s1
InChIKeyZTDQLIMJKBCITB-GXTWGEPZSA-N
MW319.40 g/mol
LogP2.68
Rot. Bonds4

About (2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one

(2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one (PubChem CID 95040653) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one
PubChem CID95040653
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one
SMILESCC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@H](C)OC(C)(C)C2)c1
InChIInChI=1S/C18H25NO4/c1-12-10-19(11-18(4,5)23-12)17(21)14(3)22-16-8-6-7-15(9-16)13(2)20/h6-9,12,14H,10-11H2,1-5H3/t12-,14+/m0/s1
InChIKeyZTDQLIMJKBCITB-GXTWGEPZSA-N
XLogP2.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120817481
1-(2,2-dimethylmorpholin-4-yl)-2-(3-propan-2-ylphenoxy)propan-1-one
CID 55796284
2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622024
2-(3-acetylphenoxy)-1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one
CID 167869171
N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48630543
(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372078
(2S)-2-(3-acetylphenoxy)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one
CID 95139796
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
2-(3-acetylphenoxy)-1-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 119661893
2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 48639893
(2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one
CID 97254731
2-(3-acetylphenoxy)-1-[2-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119631303

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one?
The IUPAC name of (2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one (CID 95040653) is (2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for (2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one is CC(=O)c1cccc(O[C@H](C)C(=O)N2C[C@H](C)OC(C)(C)C2)c1.
What is the InChIKey of (2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one?
The InChIKey is ZTDQLIMJKBCITB-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H25NO4/c1-12-10-19(11-18(4,5)23-12)17(21)14(3)22-16-8-6-7-15(9-16)13(2)20/h6-9,12,14H,10-11H2,1-5H3/t12-,14+/m0/s1.
What are the key properties of (2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one?
(2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one has a molecular weight of 319.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 95040653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).