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

C15H21NO4 — CID 2913104

IUPAC1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OC(C)CN2CCOCC2)c1
InChIInChI=1S/C15H21NO4/c1-12(11-16-6-8-19-9-7-16)20-15(17)13-4-3-5-14(10-13)18-2/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeySYZHYKRFEZFEMU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.57
Rot. Bonds5

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

1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate (PubChem CID 2913104) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
PubChem CID2913104
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OC(C)CN2CCOCC2)c1
InChIInChI=1S/C15H21NO4/c1-12(11-16-6-8-19-9-7-16)20-15(17)13-4-3-5-14(10-13)18-2/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeySYZHYKRFEZFEMU-UHFFFAOYSA-N
XLogP1.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 844388
1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
CID 84600441
[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
CID 848692
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate (CID 2913104) is 1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate is COc1cccc(C(=O)OC(C)CN2CCOCC2)c1.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate?
The InChIKey is SYZHYKRFEZFEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-12(11-16-6-8-19-9-7-16)20-15(17)13-4-3-5-14(10-13)18-2/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate?
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate has a molecular weight of 279.34 g/mol, XLogP of 1.57, 5 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 3-methoxybenzoate is sourced from PubChem (CID 2913104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).