1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate

C16H23NO3 — CID 3151282

IUPAC1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate
SMILESCC(CN1CCOCC1)OC(=O)CCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-14(13-17-9-11-19-12-10-17)20-16(18)8-7-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3
InChIKeyDWMJRVGBQPYABD-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.88
Rot. Bonds6

About 1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate

1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate (PubChem CID 3151282) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate
PubChem CID3151282
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate
SMILESCC(CN1CCOCC1)OC(=O)CCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-14(13-17-9-11-19-12-10-17)20-16(18)8-7-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3
InChIKeyDWMJRVGBQPYABD-UHFFFAOYSA-N
XLogP1.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate (CID 3151282) is 1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate is CC(CN1CCOCC1)OC(=O)CCc1ccccc1.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate?
The InChIKey is DWMJRVGBQPYABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-14(13-17-9-11-19-12-10-17)20-16(18)8-7-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate?
1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate has a molecular weight of 277.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 3-phenylpropanoate is sourced from PubChem (CID 3151282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).