tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate

C24H29NO6 — CID 66656071

IUPACtert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCOC(c2ccc(Oc3ccc4c(c3)OCO4)cc2)C1
InChIInChI=1S/C24H29NO6/c1-24(2,3)31-23(26)10-11-25-12-13-27-22(15-25)17-4-6-18(7-5-17)30-19-8-9-20-21(14-19)29-16-28-20/h4-9,14,22H,10-13,15-16H2,1-3H3
InChIKeyLOKAHCYJVFDXDH-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.31
Rot. Bonds6

About tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate

tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate (PubChem CID 66656071) has the molecular formula C24H29NO6 and a molecular weight of 427.50 g/mol. Its IUPAC name is tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate
PubChem CID66656071
Molecular FormulaC24H29NO6
Molecular Weight427.50 g/mol
Exact Mass427.20
IUPAC Nametert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCOC(c2ccc(Oc3ccc4c(c3)OCO4)cc2)C1
InChIInChI=1S/C24H29NO6/c1-24(2,3)31-23(26)10-11-25-12-13-27-22(15-25)17-4-6-18(7-5-17)30-19-8-9-20-21(14-19)29-16-28-20/h4-9,14,22H,10-13,15-16H2,1-3H3
InChIKeyLOKAHCYJVFDXDH-UHFFFAOYSA-N
XLogP4.31
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate
CID 67035803
tert-butyl 3-[2-[4-(3-phenylprop-2-enoxy)phenyl]morpholin-4-yl]propanoate
CID 67031689
tert-butyl 3-[2-[4-[(2-benzyl-1,3-dioxol-4-yl)oxy]phenyl]morpholin-4-yl]propanoate
CID 66656072
tert-butyl 3-[2-[4-(2,6-dichlorophenyl)sulfonylphenyl]morpholin-4-yl]propanoate
CID 66654329
3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 66654044
tert-butyl 4-[2-(4-octylphenyl)morpholin-4-yl]butanoate
CID 67033262
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327211
3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66653995
tert-butyl 3-[2-[4-[(4-bromophenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate
CID 67032537
tert-butyl 3-[2-[4-hydroxy-2-(trifluoromethyl)phenyl]morpholin-4-yl]propanoate;tert-butyl 3-[2-[4-(2-methylbenzoyl)phenyl]morpholin-4-yl]propanoate
CID 157475492
methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate?
The IUPAC name of tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate (CID 66656071) is tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate?
The canonical SMILES for tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate is CC(C)(C)OC(=O)CCN1CCOC(c2ccc(Oc3ccc4c(c3)OCO4)cc2)C1.
What is the InChIKey of tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate?
The InChIKey is LOKAHCYJVFDXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO6/c1-24(2,3)31-23(26)10-11-25-12-13-27-22(15-25)17-4-6-18(7-5-17)30-19-8-9-20-21(14-19)29-16-28-20/h4-9,14,22H,10-13,15-16H2,1-3H3.
What are the key properties of tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate?
tert-butyl 3-[2-[4-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate has a molecular weight of 427.50 g/mol, XLogP of 4.31, 6 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-(1,3-benzodioxol-5-yloxy)phenyl]morpholin-4-yl]propanoate is sourced from PubChem (CID 66656071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).