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

C20H23NO3 — CID 123332358

IUPAC1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
SMILESCC(CN1CCOCC1)OC(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H23NO3/c1-16(15-21-10-12-23-13-11-21)24-20(22)19-9-5-8-18(14-19)17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3
InChIKeyQABZSHSMDJOGGJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.23
Rot. Bonds5

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

1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate (PubChem CID 123332358) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
PubChem CID123332358
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
SMILESCC(CN1CCOCC1)OC(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H23NO3/c1-16(15-21-10-12-23-13-11-21)24-20(22)19-9-5-8-18(14-19)17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3
InChIKeyQABZSHSMDJOGGJ-UHFFFAOYSA-N
XLogP3.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
CID 2913104
1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
[(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 2-methylbenzoate chloride
CID 53347672
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
CID 84600441
[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 844388

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate (CID 123332358) is 1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate is CC(CN1CCOCC1)OC(=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate?
The InChIKey is QABZSHSMDJOGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-16(15-21-10-12-23-13-11-21)24-20(22)19-9-5-8-18(14-19)17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate?
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate has a molecular weight of 325.41 g/mol, XLogP of 3.23, 5 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-phenylbenzoate is sourced from PubChem (CID 123332358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).