3-phenylpropyl 2-morpholin-4-ylacetate

C15H21NO3 — CID 658343

IUPAC3-phenylpropyl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OCCCc1ccccc1
InChIInChI=1S/C15H21NO3/c17-15(13-16-8-11-18-12-9-16)19-10-4-7-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKeyMDIRJRIVNSVKSL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.49
Rot. Bonds6

About 3-phenylpropyl 2-morpholin-4-ylacetate

3-phenylpropyl 2-morpholin-4-ylacetate (PubChem CID 658343) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-phenylpropyl 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name3-phenylpropyl 2-morpholin-4-ylacetate
PubChem CID658343
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-phenylpropyl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OCCCc1ccccc1
InChIInChI=1S/C15H21NO3/c17-15(13-16-8-11-18-12-9-16)19-10-4-7-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKeyMDIRJRIVNSVKSL-UHFFFAOYSA-N
XLogP1.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.49
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 3-phenylpropyl 2-morpholin-4-ylacetate?
The IUPAC name of 3-phenylpropyl 2-morpholin-4-ylacetate (CID 658343) is 3-phenylpropyl 2-morpholin-4-ylacetate.
What is the SMILES notation for 3-phenylpropyl 2-morpholin-4-ylacetate?
The canonical SMILES for 3-phenylpropyl 2-morpholin-4-ylacetate is O=C(CN1CCOCC1)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl 2-morpholin-4-ylacetate?
The InChIKey is MDIRJRIVNSVKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-15(13-16-8-11-18-12-9-16)19-10-4-7-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2.
What are the key properties of 3-phenylpropyl 2-morpholin-4-ylacetate?
3-phenylpropyl 2-morpholin-4-ylacetate has a molecular weight of 263.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl 2-morpholin-4-ylacetate is sourced from PubChem (CID 658343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).