methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate

C15H21NO3 — CID 167529344

IUPACmethyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate
SMILESCOC(=O)c1ccc(C(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C15H21NO3/c1-15(2,16-8-10-19-11-9-16)13-6-4-12(5-7-13)14(17)18-3/h4-7H,8-11H2,1-3H3
InChIKeyCHYWODNUOLBKJX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.04
Rot. Bonds3

About methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate

methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate (PubChem CID 167529344) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate
PubChem CID167529344
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate
SMILESCOC(=O)c1ccc(C(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C15H21NO3/c1-15(2,16-8-10-19-11-9-16)13-6-4-12(5-7-13)14(17)18-3/h4-7H,8-11H2,1-3H3
InChIKeyCHYWODNUOLBKJX-UHFFFAOYSA-N
XLogP2.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(morpholine-4-carbothioyl)benzoate
CID 974575
methyl 4-[(2R,3R)-2,3-dihydroxy-3-(4-methoxycarbonylphenyl)butan-2-yl]benzoate
CID 11132081
4-[2-(4-iodophenyl)propan-2-yl]morpholine
CID 66579727
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate
CID 71252862
methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
1,4-dioxane;methyl 4-[[4-(trifluoromethyl)phenyl]methyl]benzoate
CID 159023275
CID 67391169
CID 67391169
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride
CID 75365746
methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate
CID 10330711

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate?
The IUPAC name of methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate (CID 167529344) is methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate.
What is the SMILES notation for methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate?
The canonical SMILES for methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate is COC(=O)c1ccc(C(C)(C)N2CCOCC2)cc1.
What is the InChIKey of methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate?
The InChIKey is CHYWODNUOLBKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,16-8-10-19-11-9-16)13-6-4-12(5-7-13)14(17)18-3/h4-7H,8-11H2,1-3H3.
What are the key properties of methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate?
methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-morpholin-4-ylpropan-2-yl)benzoate is sourced from PubChem (CID 167529344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).