(2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate

C15H20N2O4 — CID 2431273

IUPAC(2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O4/c1-16(2)13-5-3-12(4-6-13)15(19)21-11-14(18)17-7-9-20-10-8-17/h3-6H,7-11H2,1-2H3
InChIKeyPVNNAWPWKQDGFY-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.77
Rot. Bonds4

About (2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate

(2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate (PubChem CID 2431273) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate
PubChem CID2431273
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O4/c1-16(2)13-5-3-12(4-6-13)15(19)21-11-14(18)17-7-9-20-10-8-17/h3-6H,7-11H2,1-2H3
InChIKeyPVNNAWPWKQDGFY-UHFFFAOYSA-N
XLogP0.77
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.77
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) 4-(dimethylamino)benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate (CID 2431273) is (2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate?
The InChIKey is PVNNAWPWKQDGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16(2)13-5-3-12(4-6-13)15(19)21-11-14(18)17-7-9-20-10-8-17/h3-6H,7-11H2,1-2H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate?
(2-morpholin-4-yl-2-oxoethyl) 4-(dimethylamino)benzoate has a molecular weight of 292.34 g/mol, XLogP of 0.77, 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) 4-(dimethylamino)benzoate is sourced from PubChem (CID 2431273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).