(2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate

C14H16ClNO5 — CID 2098571

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCC(=O)N1CCOCC1
InChIInChI=1S/C14H16ClNO5/c15-11-1-3-12(4-2-11)20-10-14(18)21-9-13(17)16-5-7-19-8-6-16/h1-4H,5-10H2
InChIKeyNMMRXVTYGXNZBM-UHFFFAOYSA-N
MW313.74 g/mol
LogP1.12
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate

(2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate (PubChem CID 2098571) has the molecular formula C14H16ClNO5 and a molecular weight of 313.74 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate
PubChem CID2098571
Molecular FormulaC14H16ClNO5
Molecular Weight313.74 g/mol
Exact Mass313.07
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCC(=O)N1CCOCC1
InChIInChI=1S/C14H16ClNO5/c15-11-1-3-12(4-2-11)20-10-14(18)21-9-13(17)16-5-7-19-8-6-16/h1-4H,5-10H2
InChIKeyNMMRXVTYGXNZBM-UHFFFAOYSA-N
XLogP1.12
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Meclofenoxate
CID 4039
Meclofenoxate Hydrochloride
CID 19379
Clofibride
CID 160134
2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
Morpholine-4-carboxylic acid 3-chloro-phenyl ester
CID 735622
1-[2-(4-Chloro-phenoxy)-ethyl]-1H-pyridin-2-one
CID 949560
4-[2-(4-Chlorophenoxy)ethyl]morpholine
CID 868407
1-(Morpholin-4-yl)-2-phenoxyethan-1-one
CID 575101
4-(4-Chlorophenyloxycarbonyl)morpholine
CID 812959
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2432738
(4-Chloro-phenoxy)-acetic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2928132
4-[4-(4-Chlorophenoxy)-2-butyn-1-yl]morpholine oxalate
CID 2961620

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate (CID 2098571) is (2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate?
The InChIKey is NMMRXVTYGXNZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO5/c15-11-1-3-12(4-2-11)20-10-14(18)21-9-13(17)16-5-7-19-8-6-16/h1-4H,5-10H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate?
(2-morpholin-4-yl-2-oxoethyl) 2-(4-chlorophenoxy)acetate has a molecular weight of 313.74 g/mol, XLogP of 1.12, 5 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) 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 2098571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).