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

C20H21NO4 — CID 2333953

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H21NO4/c22-19(21-10-12-24-13-11-21)15-25-20(23)18-9-5-4-8-17(18)14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyPEDSMAHLGJZXHU-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.29
Rot. Bonds5

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

(2-morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate (PubChem CID 2333953) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate
PubChem CID2333953
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C20H21NO4/c22-19(21-10-12-24-13-11-21)15-25-20(23)18-9-5-4-8-17(18)14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyPEDSMAHLGJZXHU-UHFFFAOYSA-N
XLogP2.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.29
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) 2-benzylbenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate (CID 2333953) is (2-morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate is O=C(OCC(=O)N1CCOCC1)c1ccccc1Cc1ccccc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate?
The InChIKey is PEDSMAHLGJZXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c22-19(21-10-12-24-13-11-21)15-25-20(23)18-9-5-4-8-17(18)14-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-benzylbenzoate has a molecular weight of 339.39 g/mol, XLogP of 2.29, 5 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) 2-benzylbenzoate is sourced from PubChem (CID 2333953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).