1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone

C17H21N3O3 — CID 136547163

IUPAC1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone
SMILESCOc1cccc(C2CN(C(=O)Cn3ccnc3C)CCO2)c1
InChIInChI=1S/C17H21N3O3/c1-13-18-6-7-19(13)12-17(21)20-8-9-23-16(11-20)14-4-3-5-15(10-14)22-2/h3-7,10,16H,8-9,11-12H2,1-2H3
InChIKeyWEYXZFIWVJNSDH-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone

1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone (PubChem CID 136547163) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone
PubChem CID136547163
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone
SMILESCOc1cccc(C2CN(C(=O)Cn3ccnc3C)CCO2)c1
InChIInChI=1S/C17H21N3O3/c1-13-18-6-7-19(13)12-17(21)20-8-9-23-16(11-20)14-4-3-5-15(10-14)22-2/h3-7,10,16H,8-9,11-12H2,1-2H3
InChIKeyWEYXZFIWVJNSDH-UHFFFAOYSA-N
XLogP1.80
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(3-methoxyphenyl)morpholin-4-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 99629535
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110354510
2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134803
[2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136517505
(2S)-2-amino-1-[(2S)-2-(3-methoxyphenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99852551
(2R)-2-amino-1-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one
CID 97341648
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 70768855
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(5-methoxyindol-1-yl)ethanone
CID 55947389
2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride
CID 75449543
1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride
CID 154892435
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone (CID 136547163) is 1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone is COc1cccc(C2CN(C(=O)Cn3ccnc3C)CCO2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone?
The InChIKey is WEYXZFIWVJNSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13-18-6-7-19(13)12-17(21)20-8-9-23-16(11-20)14-4-3-5-15(10-14)22-2/h3-7,10,16H,8-9,11-12H2,1-2H3.
What are the key properties of 1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone?
1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone has a molecular weight of 315.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 136547163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).