2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone

C17H25NO2 — CID 79668855

IUPAC2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H25NO2/c1-4-5-18-6-7-20-17(12-18)16(19)11-15-9-13(2)8-14(3)10-15/h8-10,17H,4-7,11-12H2,1-3H3
InChIKeyJBBHSAHWVTXPRU-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.53
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone

2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone (PubChem CID 79668855) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
PubChem CID79668855
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone
SMILESCCCN1CCOC(C(=O)Cc2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H25NO2/c1-4-5-18-6-7-20-17(12-18)16(19)11-15-9-13(2)8-14(3)10-15/h8-10,17H,4-7,11-12H2,1-3H3
InChIKeyJBBHSAHWVTXPRU-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanone
CID 79669232
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668783
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
2-(2-bromo-5-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668927
(5-methyl-3-pyridinyl)-(4-propylmorpholin-2-yl)methanone
CID 113297079
2-(3-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668781
2-(5-bromo-2-methoxyphenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79663279
1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 79666582
(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 82822768
(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79667186

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone (CID 79668855) is 2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone is CCCN1CCOC(C(=O)Cc2cc(C)cc(C)c2)C1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone?
The InChIKey is JBBHSAHWVTXPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-5-18-6-7-20-17(12-18)16(19)11-15-9-13(2)8-14(3)10-15/h8-10,17H,4-7,11-12H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone?
2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(4-propylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79668855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).