(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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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).