tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate

C27H33NO6 — CID 66656072

IUPACtert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCOC(c2ccc(OC3=COC(Cc4ccccc4)O3)cc2)C1
InChIInChI=1S/C27H33NO6/c1-27(2,3)34-24(29)13-14-28-15-16-30-23(18-28)21-9-11-22(12-10-21)32-26-19-31-25(33-26)17-20-7-5-4-6-8-20/h4-12,19,23,25H,13-18H2,1-3H3
InChIKeyJSJGXDMQUYPFBY-UHFFFAOYSA-N
MW467.56 g/mol
LogP4.59
Rot. Bonds8

About tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate

tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate (PubChem CID 66656072) has the molecular formula C27H33NO6 and a molecular weight of 467.56 g/mol. Its IUPAC name is tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate
PubChem CID66656072
Molecular FormulaC27H33NO6
Molecular Weight467.56 g/mol
Exact Mass467.23
IUPAC Nametert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCOC(c2ccc(OC3=COC(Cc4ccccc4)O3)cc2)C1
InChIInChI=1S/C27H33NO6/c1-27(2,3)34-24(29)13-14-28-15-16-30-23(18-28)21-9-11-22(12-10-21)32-26-19-31-25(33-26)17-20-7-5-4-6-8-20/h4-12,19,23,25H,13-18H2,1-3H3
InChIKeyJSJGXDMQUYPFBY-UHFFFAOYSA-N
XLogP4.59
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate with MolForge

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Related Compounds

tert-butyl 3-[2-[4-(3-phenylprop-2-enoxy)phenyl]morpholin-4-yl]propanoate
CID 67031689
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CID 66656071
tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate
CID 67035803
3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
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tert-butyl 3-[2-[4-(2,6-dichlorophenyl)sulfonylphenyl]morpholin-4-yl]propanoate
CID 66654329
(2,2,2-trifluoroacetyl) 3-[2-(4-phenylmethoxyphenyl)morpholin-4-yl]propanoate
CID 87243620
tert-butyl 3-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]morpholin-4-yl]propanoate;tert-butyl 3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoate
CID 158002352
3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66653995
tert-butyl 4-[2-(4-octylphenyl)morpholin-4-yl]butanoate
CID 67033262
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid
CID 56597204
3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 56597202

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate?
The IUPAC name of tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate (CID 66656072) is tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate?
The canonical SMILES for tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate is CC(C)(C)OC(=O)CCN1CCOC(c2ccc(OC3=COC(Cc4ccccc4)O3)cc2)C1.
What is the InChIKey of tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate?
The InChIKey is JSJGXDMQUYPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO6/c1-27(2,3)34-24(29)13-14-28-15-16-30-23(18-28)21-9-11-22(12-10-21)32-26-19-31-25(33-26)17-20-7-5-4-6-8-20/h4-12,19,23,25H,13-18H2,1-3H3.
What are the key properties of tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate?
tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate has a molecular weight of 467.56 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate is sourced from PubChem (CID 66656072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).