[2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate

C19H19NO4 — CID 3717219

IUPAC[2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate
SMILESCc1cccc(C(=O)Oc2ccccc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19NO4/c1-14-5-4-6-15(13-14)19(22)24-17-8-3-2-7-16(17)18(21)20-9-11-23-12-10-20/h2-8,13H,9-12H2,1H3
InChIKeyYOFHYOPDKOTFQI-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.69
Rot. Bonds3

About [2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate

[2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate (PubChem CID 3717219) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate.

Molecular Properties

Compound Name[2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate
PubChem CID3717219
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate
SMILESCc1cccc(C(=O)Oc2ccccc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19NO4/c1-14-5-4-6-15(13-14)19(22)24-17-8-3-2-7-16(17)18(21)20-9-11-23-12-10-20/h2-8,13H,9-12H2,1H3
InChIKeyYOFHYOPDKOTFQI-UHFFFAOYSA-N
XLogP2.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate?
The IUPAC name of [2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate (CID 3717219) is [2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate.
What is the SMILES notation for [2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate?
The canonical SMILES for [2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate is Cc1cccc(C(=O)Oc2ccccc2C(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate?
The InChIKey is YOFHYOPDKOTFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-14-5-4-6-15(13-14)19(22)24-17-8-3-2-7-16(17)18(21)20-9-11-23-12-10-20/h2-8,13H,9-12H2,1H3.
What are the key properties of [2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate?
[2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate has a molecular weight of 325.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(morpholine-4-carbonyl)phenyl] 3-methylbenzoate is sourced from PubChem (CID 3717219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).