(2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate

C17H17NO4 — CID 2457119

IUPAC(2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO4/c19-16(18-7-9-21-10-8-18)12-22-17(20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11H,7-10,12H2
InChIKeyKJIJZPZXFMFVSD-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.86
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate

(2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate (PubChem CID 2457119) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate
PubChem CID2457119
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO4/c19-16(18-7-9-21-10-8-18)12-22-17(20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11H,7-10,12H2
InChIKeyKJIJZPZXFMFVSD-UHFFFAOYSA-N
XLogP1.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate (CID 2457119) is (2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate is O=C(OCC(=O)N1CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate?
The InChIKey is KJIJZPZXFMFVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-16(18-7-9-21-10-8-18)12-22-17(20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11H,7-10,12H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate?
(2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) naphthalene-2-carboxylate is sourced from PubChem (CID 2457119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).