methyl 5-acetamido-2-morpholin-4-ylbenzoate

C14H18N2O4 — CID 6463423

IUPACmethyl 5-acetamido-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(C)=O)ccc1N1CCOCC1
InChIInChI=1S/C14H18N2O4/c1-10(17)15-11-3-4-13(12(9-11)14(18)19-2)16-5-7-20-8-6-16/h3-4,9H,5-8H2,1-2H3,(H,15,17)
InChIKeyYOWMMPDRXNHYSO-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.27
Rot. Bonds3

About methyl 5-acetamido-2-morpholin-4-ylbenzoate

methyl 5-acetamido-2-morpholin-4-ylbenzoate (PubChem CID 6463423) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 5-acetamido-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-acetamido-2-morpholin-4-ylbenzoate
PubChem CID6463423
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 5-acetamido-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(C)=O)ccc1N1CCOCC1
InChIInChI=1S/C14H18N2O4/c1-10(17)15-11-3-4-13(12(9-11)14(18)19-2)16-5-7-20-8-6-16/h3-4,9H,5-8H2,1-2H3,(H,15,17)
InChIKeyYOWMMPDRXNHYSO-UHFFFAOYSA-N
XLogP1.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-acetamido-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-acetamido-2-morpholin-4-ylbenzoate (CID 6463423) is methyl 5-acetamido-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-acetamido-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-acetamido-2-morpholin-4-ylbenzoate is COC(=O)c1cc(NC(C)=O)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-acetamido-2-morpholin-4-ylbenzoate?
The InChIKey is YOWMMPDRXNHYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(17)15-11-3-4-13(12(9-11)14(18)19-2)16-5-7-20-8-6-16/h3-4,9H,5-8H2,1-2H3,(H,15,17).
What are the key properties of methyl 5-acetamido-2-morpholin-4-ylbenzoate?
methyl 5-acetamido-2-morpholin-4-ylbenzoate has a molecular weight of 278.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetamido-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 6463423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).