2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone

C18H27NO3 — CID 82050428

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone
SMILESCC(C)COc1ccc(C(=O)CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C18H27NO3/c1-13(2)12-21-17-7-5-16(6-8-17)18(20)11-19-9-14(3)22-15(4)10-19/h5-8,13-15H,9-12H2,1-4H3
InChIKeyYZINNNMFBTZIBU-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.01
Rot. Bonds6

About 2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone

2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone (PubChem CID 82050428) 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-[4-(2-methylpropoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone
PubChem CID82050428
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone
SMILESCC(C)COc1ccc(C(=O)CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C18H27NO3/c1-13(2)12-21-17-7-5-16(6-8-17)18(20)11-19-9-14(3)22-15(4)10-19/h5-8,13-15H,9-12H2,1-4H3
InChIKeyYZINNNMFBTZIBU-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-ethoxyphenyl)ethanone
CID 93026036
2-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)ethanone
CID 4579108
2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
CID 82051054
1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
CID 53313566
methyl 4-[(2R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 42559903
2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82051568
methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 98242648
1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 82052943
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
2-methylpropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetyl]amino]benzoate
CID 92858710
3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050418
3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050414

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone (CID 82050428) is 2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone is CC(C)COc1ccc(C(=O)CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone?
The InChIKey is YZINNNMFBTZIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(2)12-21-17-7-5-16(6-8-17)18(20)11-19-9-14(3)22-15(4)10-19/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone?
2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone has a molecular weight of 305.42 g/mol, XLogP of 3.01, 6 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-[4-(2-methylpropoxy)phenyl]ethanone is sourced from PubChem (CID 82050428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).