methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate

C16H25NO4 — CID 78958910

IUPACmethyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate
SMILESCOCCN(CCOc1ccc(C)cc1)CCC(=O)OC
InChIInChI=1S/C16H25NO4/c1-14-4-6-15(7-5-14)21-13-11-17(10-12-19-2)9-8-16(18)20-3/h4-7H,8-13H2,1-3H3
InChIKeySPGCOJJPIDDSSW-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.89
Rot. Bonds10

About methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate

methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate (PubChem CID 78958910) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate
PubChem CID78958910
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate
SMILESCOCCN(CCOc1ccc(C)cc1)CCC(=O)OC
InChIInChI=1S/C16H25NO4/c1-14-4-6-15(7-5-14)21-13-11-17(10-12-19-2)9-8-16(18)20-3/h4-7H,8-13H2,1-3H3
InChIKeySPGCOJJPIDDSSW-UHFFFAOYSA-N
XLogP1.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[butyl-[2-(4-methylphenoxy)ethyl]amino]propanoic acid
CID 82329434
methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
CID 62027354
methyl 3-[methyl-[4-(4-methylphenoxy)butanoyl]amino]propanoate
CID 61030939
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
CID 60654331
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
CID 5261957
1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881396
1,1-bis(2-methoxyethyl)-3-[(4-methylphenoxy)methyl]urea
CID 108893008
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate
CID 78959784
methyl 3-[(2-bromo-5-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536450
methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate
CID 115281495

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate (CID 78958910) is methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate is COCCN(CCOc1ccc(C)cc1)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate?
The InChIKey is SPGCOJJPIDDSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-14-4-6-15(7-5-14)21-13-11-17(10-12-19-2)9-8-16(18)20-3/h4-7H,8-13H2,1-3H3.
What are the key properties of methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate?
methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate has a molecular weight of 295.38 g/mol, XLogP of 1.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate is sourced from PubChem (CID 78958910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).