2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone

C18H27NO3 — CID 82051568

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
SMILESCc1cc(C(=O)CN2CC(C)OC(C)C2)ccc1OC(C)C
InChIInChI=1S/C18H27NO3/c1-12(2)21-18-7-6-16(8-13(18)3)17(20)11-19-9-14(4)22-15(5)10-19/h6-8,12,14-15H,9-11H2,1-5H3
InChIKeyJEQDHSBVRWZESE-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.07
Rot. Bonds5

About 2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone

2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone (PubChem CID 82051568) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
PubChem CID82051568
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
SMILESCc1cc(C(=O)CN2CC(C)OC(C)C2)ccc1OC(C)C
InChIInChI=1S/C18H27NO3/c1-12(2)21-18-7-6-16(8-13(18)3)17(20)11-19-9-14(4)22-15(5)10-19/h6-8,12,14-15H,9-11H2,1-5H3
InChIKeyJEQDHSBVRWZESE-UHFFFAOYSA-N
XLogP3.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 82052943
2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544
2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone
CID 82050428
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
methyl 3-(3-methyl-4-propan-2-yloxyphenyl)-3-oxopropanoate
CID 95461156
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43227090
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-ethoxyphenyl)ethanone
CID 93026036
2-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82053854
2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
CID 82051054
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2,5-dimethylphenyl)ethanone
CID 93026027

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone (CID 82051568) is 2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone is Cc1cc(C(=O)CN2CC(C)OC(C)C2)ccc1OC(C)C.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone?
The InChIKey is JEQDHSBVRWZESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-12(2)21-18-7-6-16(8-13(18)3)17(20)11-19-9-14(4)22-15(5)10-19/h6-8,12,14-15H,9-11H2,1-5H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone?
2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone has a molecular weight of 305.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 82051568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).