2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate

C17H23NO5 — CID 18710298

IUPAC2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
SMILESCC(C)C(=O)OCOC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H23NO5/c1-13(2)16(19)22-12-23-17(20)15-5-3-14(4-6-15)11-18-7-9-21-10-8-18/h3-6,13H,7-12H2,1-2H3
InChIKeyBMEOYSIKGGDPJY-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.83
Rot. Bonds6

About 2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate

2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate (PubChem CID 18710298) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Name2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
PubChem CID18710298
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
SMILESCC(C)C(=O)OCOC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H23NO5/c1-13(2)16(19)22-12-23-17(20)15-5-3-14(4-6-15)11-18-7-9-21-10-8-18/h3-6,13H,7-12H2,1-2H3
InChIKeyBMEOYSIKGGDPJY-UHFFFAOYSA-N
XLogP1.83
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768690
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769111
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768793
CID 59303659
CID 59303659
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
2-methylpropyl 4-(piperidin-1-ylmethyl)benzoate
CID 18710312
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of 2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate (CID 18710298) is 2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for 2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for 2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate is CC(C)C(=O)OCOC(=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate?
The InChIKey is BMEOYSIKGGDPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-13(2)16(19)22-12-23-17(20)15-5-3-14(4-6-15)11-18-7-9-21-10-8-18/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate?
2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate has a molecular weight of 321.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 18710298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).