methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate

C17H25NO4 — CID 143419572

IUPACmethyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(OCCN2CCOCC2)cc1C
InChIInChI=1S/C17H25NO4/c1-13-12-15(4-5-16(13)14(2)17(19)20-3)22-11-8-18-6-9-21-10-7-18/h4-5,12,14H,6-11H2,1-3H3
InChIKeyGTTOPVGPYCYWHD-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.98
Rot. Bonds6

About methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate

methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate (PubChem CID 143419572) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
PubChem CID143419572
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Namemethyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
SMILESCOC(=O)C(C)c1ccc(OCCN2CCOCC2)cc1C
InChIInChI=1S/C17H25NO4/c1-13-12-15(4-5-16(13)14(2)17(19)20-3)22-11-8-18-6-9-21-10-7-18/h4-5,12,14H,6-11H2,1-3H3
InChIKeyGTTOPVGPYCYWHD-UHFFFAOYSA-N
XLogP1.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline
CID 90993901
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
2-morpholin-4-ylethyl 2-(3-methoxyphenoxy)acetate;hydrochloride
CID 23620383
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate?
The IUPAC name of methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate (CID 143419572) is methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate.
What is the SMILES notation for methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate?
The canonical SMILES for methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate is COC(=O)C(C)c1ccc(OCCN2CCOCC2)cc1C.
What is the InChIKey of methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate?
The InChIKey is GTTOPVGPYCYWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-13-12-15(4-5-16(13)14(2)17(19)20-3)22-11-8-18-6-9-21-10-7-18/h4-5,12,14H,6-11H2,1-3H3.
What are the key properties of methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate?
methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate has a molecular weight of 307.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate is sourced from PubChem (CID 143419572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).