2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone

C23H29NO3 — CID 121134838

IUPAC2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
SMILESCc1ccc(C2CN(C(=O)COc3ccc(C(C)(C)C)cc3)CCO2)cc1
InChIInChI=1S/C23H29NO3/c1-17-5-7-18(8-6-17)21-15-24(13-14-26-21)22(25)16-27-20-11-9-19(10-12-20)23(2,3)4/h5-12,21H,13-16H2,1-4H3
InChIKeyMSFOJPUBHHMFBL-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.27
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone

2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone (PubChem CID 121134838) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
PubChem CID121134838
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
SMILESCc1ccc(C2CN(C(=O)COc3ccc(C(C)(C)C)cc3)CCO2)cc1
InChIInChI=1S/C23H29NO3/c1-17-5-7-18(8-6-17)21-15-24(13-14-26-21)22(25)16-27-20-11-9-19(10-12-20)23(2,3)4/h5-12,21H,13-16H2,1-4H3
InChIKeyMSFOJPUBHHMFBL-UHFFFAOYSA-N
XLogP4.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 110364025
2-(3-methoxyphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134803
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552824
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894896
1-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 129006398
(4-ethoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134773
4-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethoxy]benzamide
CID 94796760
2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894912
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113076572

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone (CID 121134838) is 2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone is Cc1ccc(C2CN(C(=O)COc3ccc(C(C)(C)C)cc3)CCO2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone?
The InChIKey is MSFOJPUBHHMFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17-5-7-18(8-6-17)21-15-24(13-14-26-21)22(25)16-27-20-11-9-19(10-12-20)23(2,3)4/h5-12,21H,13-16H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone?
2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone has a molecular weight of 367.49 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 121134838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).