(4-morpholin-4-yl-4-oxobutyl) benzoate

C15H19NO4 — CID 658750

IUPAC(4-morpholin-4-yl-4-oxobutyl) benzoate
SMILESO=C(OCCCC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(16-8-11-19-12-9-16)7-4-10-20-15(18)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKeyZVJNULARXXRCCS-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.48
Rot. Bonds5

About (4-morpholin-4-yl-4-oxobutyl) benzoate

(4-morpholin-4-yl-4-oxobutyl) benzoate (PubChem CID 658750) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (4-morpholin-4-yl-4-oxobutyl) benzoate.

Molecular Properties

Compound Name(4-morpholin-4-yl-4-oxobutyl) benzoate
PubChem CID658750
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(4-morpholin-4-yl-4-oxobutyl) benzoate
SMILESO=C(OCCCC(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(16-8-11-19-12-9-16)7-4-10-20-15(18)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKeyZVJNULARXXRCCS-UHFFFAOYSA-N
XLogP1.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-yl-4-oxobutyl) benzoate?
The IUPAC name of (4-morpholin-4-yl-4-oxobutyl) benzoate (CID 658750) is (4-morpholin-4-yl-4-oxobutyl) benzoate.
What is the SMILES notation for (4-morpholin-4-yl-4-oxobutyl) benzoate?
The canonical SMILES for (4-morpholin-4-yl-4-oxobutyl) benzoate is O=C(OCCCC(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of (4-morpholin-4-yl-4-oxobutyl) benzoate?
The InChIKey is ZVJNULARXXRCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(16-8-11-19-12-9-16)7-4-10-20-15(18)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2.
What are the key properties of (4-morpholin-4-yl-4-oxobutyl) benzoate?
(4-morpholin-4-yl-4-oxobutyl) benzoate has a molecular weight of 277.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-yl-4-oxobutyl) benzoate is sourced from PubChem (CID 658750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).