(2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate

C18H27NO3 — CID 167289615

IUPAC(2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate
SMILESCCC1CN(CC(=O)Oc2c(C)cccc2C)CC(CC)O1
InChIInChI=1S/C18H27NO3/c1-5-15-10-19(11-16(6-2)21-15)12-17(20)22-18-13(3)8-7-9-14(18)4/h7-9,15-16H,5-6,10-12H2,1-4H3
InChIKeyYNUQKWVEVJCNCS-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.10
Rot. Bonds5

About (2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate

(2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate (PubChem CID 167289615) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate.

Molecular Properties

Compound Name(2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate
PubChem CID167289615
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate
SMILESCCC1CN(CC(=O)Oc2c(C)cccc2C)CC(CC)O1
InChIInChI=1S/C18H27NO3/c1-5-15-10-19(11-16(6-2)21-15)12-17(20)22-18-13(3)8-7-9-14(18)4/h7-9,15-16H,5-6,10-12H2,1-4H3
InChIKeyYNUQKWVEVJCNCS-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylphenyl) 2-(6-oxa-3-azabicyclo[3.2.0]heptan-3-yl)acetate
CID 167289559
(2,6-dimethylphenyl) 2-(5-methyl-4-oxa-7-azaspiro[2.5]octan-7-yl)acetate
CID 167289794
(2,6-dimethylphenyl) 2-chloroacetate
CID 54160838
(2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 679781
(2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate
CID 167289589
(2,6-dimethylphenyl) 4-aminobutanoate
CID 67242908
(4-ethoxyphenyl) 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetate
CID 79410220
(2,6-dimethylphenyl) 2-phenoxyacetate
CID 678664
dibutyl-[2-(2,6-dimethylphenoxy)-2-oxoethyl]azanium chloride
CID 16204
(2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
CID 55430074
[3-methyl-2-(4-methylpentanoyloxy)phenyl] 4-methylpentanoate
CID 90024465
(2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83822836

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate?
The IUPAC name of (2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate (CID 167289615) is (2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate.
What is the SMILES notation for (2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate?
The canonical SMILES for (2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate is CCC1CN(CC(=O)Oc2c(C)cccc2C)CC(CC)O1.
What is the InChIKey of (2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate?
The InChIKey is YNUQKWVEVJCNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-15-10-19(11-16(6-2)21-15)12-17(20)22-18-13(3)8-7-9-14(18)4/h7-9,15-16H,5-6,10-12H2,1-4H3.
What are the key properties of (2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate?
(2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate has a molecular weight of 305.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) 2-(2,6-diethylmorpholin-4-yl)acetate is sourced from PubChem (CID 167289615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).