tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate

C24H30ClNO4 — CID 67035803

IUPACtert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCOC(c2ccc(OCc3cccc(Cl)c3)cc2)C1
InChIInChI=1S/C24H30ClNO4/c1-24(2,3)30-23(27)11-12-26-13-14-28-22(16-26)19-7-9-21(10-8-19)29-17-18-5-4-6-20(25)15-18/h4-10,15,22H,11-14,16-17H2,1-3H3
InChIKeyJQYVKLFIPSEXBU-UHFFFAOYSA-N
MW431.96 g/mol
LogP5.02
Rot. Bonds7

About tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate

tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate (PubChem CID 67035803) has the molecular formula C24H30ClNO4 and a molecular weight of 431.96 g/mol. Its IUPAC name is tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate
PubChem CID67035803
Molecular FormulaC24H30ClNO4
Molecular Weight431.96 g/mol
Exact Mass431.19
IUPAC Nametert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCOC(c2ccc(OCc3cccc(Cl)c3)cc2)C1
InChIInChI=1S/C24H30ClNO4/c1-24(2,3)30-23(27)11-12-26-13-14-28-22(16-26)19-7-9-21(10-8-19)29-17-18-5-4-6-20(25)15-18/h4-10,15,22H,11-14,16-17H2,1-3H3
InChIKeyJQYVKLFIPSEXBU-UHFFFAOYSA-N
XLogP5.02
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.96
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,2,2-trifluoroacetyl) 3-[2-[4-[(3-methoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoate
CID 88867929
tert-butyl 3-[2-[4-(2,6-dichlorophenyl)sulfonylphenyl]morpholin-4-yl]propanoate
CID 66654329
3-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 51001912
tert-butyl 3-[2-[4-(3-phenylprop-2-enoxy)phenyl]morpholin-4-yl]propanoate
CID 67031689
(2,2,2-trifluoroacetyl) 3-[2-(4-phenylmethoxyphenyl)morpholin-4-yl]propanoate
CID 87243620
tert-butyl 3-[2-[4-[(4-bromophenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate
CID 67032537
tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate
CID 66656071
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
tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate
CID 66656072
3-[2-[4-[(2-chloro-3-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032676
3-[2-[4-[[2-chloro-3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142766039
3-[2-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032360

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate?
The IUPAC name of tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate (CID 67035803) is tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate?
The canonical SMILES for tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate is CC(C)(C)OC(=O)CCN1CCOC(c2ccc(OCc3cccc(Cl)c3)cc2)C1.
What is the InChIKey of tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate?
The InChIKey is JQYVKLFIPSEXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClNO4/c1-24(2,3)30-23(27)11-12-26-13-14-28-22(16-26)19-7-9-21(10-8-19)29-17-18-5-4-6-20(25)15-18/h4-10,15,22H,11-14,16-17H2,1-3H3.
What are the key properties of tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate?
tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate has a molecular weight of 431.96 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate is sourced from PubChem (CID 67035803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).