1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate

C16H23NO3 — CID 75399143

IUPAC1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OC(C)CN2CCOCC2)c(C)c1
InChIInChI=1S/C16H23NO3/c1-12-4-5-15(13(2)10-12)16(18)20-14(3)11-17-6-8-19-9-7-17/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyDAEXMDJUKWOKHJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.18
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate

1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate (PubChem CID 75399143) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
PubChem CID75399143
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OC(C)CN2CCOCC2)c(C)c1
InChIInChI=1S/C16H23NO3/c1-12-4-5-15(13(2)10-12)16(18)20-14(3)11-17-6-8-19-9-7-17/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyDAEXMDJUKWOKHJ-UHFFFAOYSA-N
XLogP2.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
CID 53347672
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
[(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 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
1-pyrrolidin-1-ylpropan-2-yl 4-methylbenzoate
CID 3152959
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
[(2S)-1-morpholin-4-ylpropan-2-yl] 1-tert-butyl-5-methylpyrazole-4-carboxylate
CID 97351237
1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
CID 45108470

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate (CID 75399143) is 1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate is Cc1ccc(C(=O)OC(C)CN2CCOCC2)c(C)c1.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate?
The InChIKey is DAEXMDJUKWOKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-4-5-15(13(2)10-12)16(18)20-14(3)11-17-6-8-19-9-7-17/h4-5,10,14H,6-9,11H2,1-3H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate?
1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate has a molecular weight of 277.36 g/mol, XLogP of 2.18, 4 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 2,4-dimethylbenzoate is sourced from PubChem (CID 75399143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).