(2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate

C15H19NO4 — CID 2347986

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2CCOCC2)c(C)c1
InChIInChI=1S/C15H19NO4/c1-11-3-4-13(12(2)9-11)15(18)20-10-14(17)16-5-7-19-8-6-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyANGFCDQUNZTIHD-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.32
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate

(2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate (PubChem CID 2347986) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate
PubChem CID2347986
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2CCOCC2)c(C)c1
InChIInChI=1S/C15H19NO4/c1-11-3-4-13(12(2)9-11)15(18)20-10-14(17)16-5-7-19-8-6-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyANGFCDQUNZTIHD-UHFFFAOYSA-N
XLogP1.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.32
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) 2,4-dimethylbenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate (CID 2347986) is (2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate is Cc1ccc(C(=O)OCC(=O)N2CCOCC2)c(C)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate?
The InChIKey is ANGFCDQUNZTIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-3-4-13(12(2)9-11)15(18)20-10-14(17)16-5-7-19-8-6-16/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate?
(2-morpholin-4-yl-2-oxoethyl) 2,4-dimethylbenzoate has a molecular weight of 277.32 g/mol, XLogP of 1.32, 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) 2,4-dimethylbenzoate is sourced from PubChem (CID 2347986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).