[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate

C17H23NO4 — CID 4550282

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CC(C)OC(C)C2)c1C
InChIInChI=1S/C17H23NO4/c1-11-6-5-7-15(14(11)4)17(20)21-10-16(19)18-8-12(2)22-13(3)9-18/h5-7,12-13H,8-10H2,1-4H3
InChIKeyVYSLQZMODQQERE-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.10
Rot. Bonds3

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate (PubChem CID 4550282) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate
PubChem CID4550282
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CC(C)OC(C)C2)c1C
InChIInChI=1S/C17H23NO4/c1-11-6-5-7-15(14(11)4)17(20)21-10-16(19)18-8-12(2)22-13(3)9-18/h5-7,12-13H,8-10H2,1-4H3
InChIKeyVYSLQZMODQQERE-UHFFFAOYSA-N
XLogP2.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate (CID 4550282) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate is Cc1cccc(C(=O)OCC(=O)N2CC(C)OC(C)C2)c1C.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
The InChIKey is VYSLQZMODQQERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11-6-5-7-15(14(11)4)17(20)21-10-16(19)18-8-12(2)22-13(3)9-18/h5-7,12-13H,8-10H2,1-4H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate has a molecular weight of 305.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,3-dimethylbenzoate is sourced from PubChem (CID 4550282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).