(2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate

C14H17NO4 — CID 3963866

IUPAC(2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H17NO4/c1-11-2-4-12(5-3-11)14(17)19-10-13(16)15-6-8-18-9-7-15/h2-5H,6-10H2,1H3
InChIKeyAQGCUDVUHXZCIL-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.01
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate

(2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate (PubChem CID 3963866) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate
PubChem CID3963866
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H17NO4/c1-11-2-4-12(5-3-11)14(17)19-10-13(16)15-6-8-18-9-7-15/h2-5H,6-10H2,1H3
InChIKeyAQGCUDVUHXZCIL-UHFFFAOYSA-N
XLogP1.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.01
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) 4-methylbenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate (CID 3963866) is (2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate?
The InChIKey is AQGCUDVUHXZCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-11-2-4-12(5-3-11)14(17)19-10-13(16)15-6-8-18-9-7-15/h2-5H,6-10H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate?
(2-morpholin-4-yl-2-oxoethyl) 4-methylbenzoate has a molecular weight of 263.29 g/mol, XLogP of 1.01, 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) 4-methylbenzoate is sourced from PubChem (CID 3963866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).