1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate

C16H23NO4 — CID 2928815

IUPAC1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC(C)CN2CCOCC2)cc1
InChIInChI=1S/C16H23NO4/c1-13(12-17-7-9-20-10-8-17)21-16(18)11-14-3-5-15(19-2)6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyHUJFTHYFPMSUJB-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.50
Rot. Bonds6

About 1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate

1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate (PubChem CID 2928815) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate
PubChem CID2928815
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC(C)CN2CCOCC2)cc1
InChIInChI=1S/C16H23NO4/c1-13(12-17-7-9-20-10-8-17)21-16(18)11-14-3-5-15(19-2)6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyHUJFTHYFPMSUJB-UHFFFAOYSA-N
XLogP1.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate (CID 2928815) is 1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OC(C)CN2CCOCC2)cc1.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate?
The InChIKey is HUJFTHYFPMSUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-13(12-17-7-9-20-10-8-17)21-16(18)11-14-3-5-15(19-2)6-4-14/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate?
1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate has a molecular weight of 293.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 2928815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).