methyl 4-(morpholine-4-carbonylamino)benzoate

C13H16N2O4 — CID 645276

IUPACmethyl 4-(morpholine-4-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H16N2O4/c1-18-12(16)10-2-4-11(5-3-10)14-13(17)15-6-8-19-9-7-15/h2-5H,6-9H2,1H3,(H,14,17)
InChIKeyFKIOLRVWIPSKHG-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.34
Rot. Bonds2

About methyl 4-(morpholine-4-carbonylamino)benzoate

methyl 4-(morpholine-4-carbonylamino)benzoate (PubChem CID 645276) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 4-(morpholine-4-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(morpholine-4-carbonylamino)benzoate
PubChem CID645276
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 4-(morpholine-4-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H16N2O4/c1-18-12(16)10-2-4-11(5-3-10)14-13(17)15-6-8-19-9-7-15/h2-5H,6-9H2,1H3,(H,14,17)
InChIKeyFKIOLRVWIPSKHG-UHFFFAOYSA-N
XLogP1.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(morpholine-4-carbonylamino)benzoate?
The IUPAC name of methyl 4-(morpholine-4-carbonylamino)benzoate (CID 645276) is methyl 4-(morpholine-4-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(morpholine-4-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(morpholine-4-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)N2CCOCC2)cc1.
What is the InChIKey of methyl 4-(morpholine-4-carbonylamino)benzoate?
The InChIKey is FKIOLRVWIPSKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-12(16)10-2-4-11(5-3-10)14-13(17)15-6-8-19-9-7-15/h2-5H,6-9H2,1H3,(H,14,17).
What are the key properties of methyl 4-(morpholine-4-carbonylamino)benzoate?
methyl 4-(morpholine-4-carbonylamino)benzoate has a molecular weight of 264.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(morpholine-4-carbonylamino)benzoate is sourced from PubChem (CID 645276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).