5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one

C19H29NO3 — CID 54783497

IUPAC5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H29NO3/c1-15-6-7-16(2)17(14-15)23-11-5-8-19(3,4)18(21)20-9-12-22-13-10-20/h6-7,14H,5,8-13H2,1-4H3
InChIKeyGQUFOVOIDAMTKW-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.35
Rot. Bonds6

About 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one

5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one (PubChem CID 54783497) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one
PubChem CID54783497
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H29NO3/c1-15-6-7-16(2)17(14-15)23-11-5-8-19(3,4)18(21)20-9-12-22-13-10-20/h6-7,14H,5,8-13H2,1-4H3
InChIKeyGQUFOVOIDAMTKW-UHFFFAOYSA-N
XLogP3.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dimethylphenoxy)-1-[4-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperazin-1-yl]-2,2-dimethylpentan-1-one
CID 54784533
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[4-(morpholine-4-carbonyl)phenyl]pentanamide
CID 54783853
1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide
CID 54855365
5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 175467291
5-(2,5-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpentan-1-one
CID 175467251
5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pentan-1-one
CID 175467274
sodium;5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid;hydride
CID 173009199
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(pyrrolidine-1-carbothioyl)pentanamide
CID 54783992
5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
CID 54783886
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one (CID 54783497) is 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one is Cc1ccc(C)c(OCCCC(C)(C)C(=O)N2CCOCC2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is GQUFOVOIDAMTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-15-6-7-16(2)17(14-15)23-11-5-8-19(3,4)18(21)20-9-12-22-13-10-20/h6-7,14H,5,8-13H2,1-4H3.
What are the key properties of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one?
5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 319.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 54783497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).