methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate

C15H20N2O5 — CID 119742541

IUPACmethyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)C2CNCCO2)c(C)c1
InChIInChI=1S/C15H20N2O5/c1-10-7-11(22-9-14(18)20-2)3-4-12(10)17-15(19)13-8-16-5-6-21-13/h3-4,7,13,16H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyOSWYHVQKQBVGBY-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.47
Rot. Bonds5

About methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate

methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate (PubChem CID 119742541) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate
PubChem CID119742541
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Namemethyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)C2CNCCO2)c(C)c1
InChIInChI=1S/C15H20N2O5/c1-10-7-11(22-9-14(18)20-2)3-4-12(10)17-15(19)13-8-16-5-6-21-13/h3-4,7,13,16H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyOSWYHVQKQBVGBY-UHFFFAOYSA-N
XLogP0.47
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate?
The IUPAC name of methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate (CID 119742541) is methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate is COC(=O)COc1ccc(NC(=O)C2CNCCO2)c(C)c1.
What is the InChIKey of methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate?
The InChIKey is OSWYHVQKQBVGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10-7-11(22-9-14(18)20-2)3-4-12(10)17-15(19)13-8-16-5-6-21-13/h3-4,7,13,16H,5-6,8-9H2,1-2H3,(H,17,19).
What are the key properties of methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate?
methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate has a molecular weight of 308.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-4-(morpholine-2-carbonylamino)phenoxy]acetate is sourced from PubChem (CID 119742541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).