(2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate

C17H23NO6 — CID 2347995

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C17H23NO6/c1-3-22-14-6-5-13(11-15(14)23-4-2)17(20)24-12-16(19)18-7-9-21-10-8-18/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyKYMVDWMLEZRMEH-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.50
Rot. Bonds7

About (2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate

(2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate (PubChem CID 2347995) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate
PubChem CID2347995
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C17H23NO6/c1-3-22-14-6-5-13(11-15(14)23-4-2)17(20)24-12-16(19)18-7-9-21-10-8-18/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyKYMVDWMLEZRMEH-UHFFFAOYSA-N
XLogP1.50
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate (CID 2347995) is (2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1OCC.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate?
The InChIKey is KYMVDWMLEZRMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-3-22-14-6-5-13(11-15(14)23-4-2)17(20)24-12-16(19)18-7-9-21-10-8-18/h5-6,11H,3-4,7-10,12H2,1-2H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate?
(2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate has a molecular weight of 337.37 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3,4-diethoxybenzoate is sourced from PubChem (CID 2347995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).