(2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate

C18H19NO5 — CID 2347973

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C18H19NO5/c1-22-16-11-14-5-3-2-4-13(14)10-15(16)18(21)24-12-17(20)19-6-8-23-9-7-19/h2-5,10-11H,6-9,12H2,1H3
InChIKeyVCVIEHAEWKJANZ-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.86
Rot. Bonds4

About (2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate

(2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate (PubChem CID 2347973) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate
PubChem CID2347973
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C18H19NO5/c1-22-16-11-14-5-3-2-4-13(14)10-15(16)18(21)24-12-17(20)19-6-8-23-9-7-19/h2-5,10-11H,6-9,12H2,1H3
InChIKeyVCVIEHAEWKJANZ-UHFFFAOYSA-N
XLogP1.86
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate (CID 2347973) is (2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate is COc1cc2ccccc2cc1C(=O)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate?
The InChIKey is VCVIEHAEWKJANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-16-11-14-5-3-2-4-13(14)10-15(16)18(21)24-12-17(20)19-6-8-23-9-7-19/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate?
(2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 2347973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).