[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate

C18H26FNO3 — CID 78831870

IUPAC[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate
SMILESCC(C)CN1CCOC(COC(=O)CCc2cccc(F)c2)C1
InChIInChI=1S/C18H26FNO3/c1-14(2)11-20-8-9-22-17(12-20)13-23-18(21)7-6-15-4-3-5-16(19)10-15/h3-5,10,14,17H,6-9,11-13H2,1-2H3
InChIKeyJTNHGEZGBHHVJS-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.66
Rot. Bonds7

About [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate

[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate (PubChem CID 78831870) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate.

Molecular Properties

Compound Name[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate
PubChem CID78831870
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate
SMILESCC(C)CN1CCOC(COC(=O)CCc2cccc(F)c2)C1
InChIInChI=1S/C18H26FNO3/c1-14(2)11-20-8-9-22-17(12-20)13-23-18(21)7-6-15-4-3-5-16(19)10-15/h3-5,10,14,17H,6-9,11-13H2,1-2H3
InChIKeyJTNHGEZGBHHVJS-UHFFFAOYSA-N
XLogP2.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate with MolForge

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Related Compounds

[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate
CID 78831866
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate
CID 78846669
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(difluoromethoxy)benzoate
CID 78830796
(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate
CID 55368942
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
CID 78831240
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99732290
[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
CID 78832861
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate
CID 86826446
oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate
CID 78833188
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
2-fluoro-N-[[(2R)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92989345
(4-benzylmorpholin-2-yl)methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55479477

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate?
The IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate (CID 78831870) is [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate.
What is the SMILES notation for [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate?
The canonical SMILES for [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate is CC(C)CN1CCOC(COC(=O)CCc2cccc(F)c2)C1.
What is the InChIKey of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate?
The InChIKey is JTNHGEZGBHHVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-14(2)11-20-8-9-22-17(12-20)13-23-18(21)7-6-15-4-3-5-16(19)10-15/h3-5,10,14,17H,6-9,11-13H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate?
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate has a molecular weight of 323.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate is sourced from PubChem (CID 78831870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).