[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone

C22H27NO3 — CID 19374751

IUPAC[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone
SMILESCC(CN1CC(C)OC(C)C1)Oc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H27NO3/c1-16-13-23(14-17(2)25-16)15-18(3)26-21-11-7-10-20(12-21)22(24)19-8-5-4-6-9-19/h4-12,16-18H,13-15H2,1-3H3
InChIKeyMVHHATZUWRCUMI-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.79
Rot. Bonds6

About [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone

[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone (PubChem CID 19374751) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone
PubChem CID19374751
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone
SMILESCC(CN1CC(C)OC(C)C1)Oc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H27NO3/c1-16-13-23(14-17(2)25-16)15-18(3)26-21-11-7-10-20(12-21)22(24)19-8-5-4-6-9-19/h4-12,16-18H,13-15H2,1-3H3
InChIKeyMVHHATZUWRCUMI-UHFFFAOYSA-N
XLogP3.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
CID 55094936
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
[(2S)-1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-2-yl] benzoate
CID 92858858
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
CID 55308407
3-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
CID 42958339
2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine
CID 14553897
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895
1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7379667
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768
[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
CID 67418850
2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
CID 82051054
2,6-dimethyl-4-(2-pyrimidin-4-yloxypropyl)morpholine
CID 117061428

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone?
The IUPAC name of [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone (CID 19374751) is [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone?
The canonical SMILES for [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone is CC(CN1CC(C)OC(C)C1)Oc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone?
The InChIKey is MVHHATZUWRCUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16-13-23(14-17(2)25-16)15-18(3)26-21-11-7-10-20(12-21)22(24)19-8-5-4-6-9-19/h4-12,16-18H,13-15H2,1-3H3.
What are the key properties of [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone?
[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone has a molecular weight of 353.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone is sourced from PubChem (CID 19374751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).