1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone

C17H21N3O3 — CID 96568135

IUPAC1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone
SMILESCC[C@@H]1CN(C(=O)COc2cccc(-n3ccnc3)c2)CCO1
InChIInChI=1S/C17H21N3O3/c1-2-15-11-19(8-9-22-15)17(21)12-23-16-5-3-4-14(10-16)20-7-6-18-13-20/h3-7,10,13,15H,2,8-9,11-12H2,1H3/t15-/m1/s1
InChIKeyVNISBLBWALNZSL-OAHLLOKOSA-N
MW315.37 g/mol
LogP1.89
Rot. Bonds5

About 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone

1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone (PubChem CID 96568135) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone
PubChem CID96568135
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone
SMILESCC[C@@H]1CN(C(=O)COc2cccc(-n3ccnc3)c2)CCO1
InChIInChI=1S/C17H21N3O3/c1-2-15-11-19(8-9-22-15)17(21)12-23-16-5-3-4-14(10-16)20-7-6-18-13-20/h3-7,10,13,15H,2,8-9,11-12H2,1H3/t15-/m1/s1
InChIKeyVNISBLBWALNZSL-OAHLLOKOSA-N
XLogP1.89
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[[(2R)-4-(2-pyridin-3-yloxyacetyl)morpholin-2-yl]methyl]amino]acetamide
CID 129477899
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 94014711
2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 138026114
1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone
CID 25345417
1-(2-ethylmorpholin-4-yl)-2-(2,4,5-trichlorophenoxy)ethanone
CID 55571550
2-(4-bromophenoxy)-1-(2-ethyl-1,4-oxazepan-4-yl)ethanone
CID 119037619
2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134803
1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
CID 81208849
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 46059317
[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 38002651
1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 110112558

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone?
The IUPAC name of 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone (CID 96568135) is 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone.
What is the SMILES notation for 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone?
The canonical SMILES for 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone is CC[C@@H]1CN(C(=O)COc2cccc(-n3ccnc3)c2)CCO1.
What is the InChIKey of 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone?
The InChIKey is VNISBLBWALNZSL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-15-11-19(8-9-22-15)17(21)12-23-16-5-3-4-14(10-16)20-7-6-18-13-20/h3-7,10,13,15H,2,8-9,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone?
1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone has a molecular weight of 315.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethylmorpholin-4-yl]-2-(3-imidazol-1-ylphenoxy)ethanone is sourced from PubChem (CID 96568135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).