methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate

C14H21NO4 — CID 60654331

IUPACmethyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)CCOc1ccc(OC)cc1
InChIInChI=1S/C14H21NO4/c1-15(9-8-14(16)18-3)10-11-19-13-6-4-12(17-2)5-7-13/h4-7H,8-11H2,1-3H3
InChIKeyIWDZMKXXIOYWPZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.57
Rot. Bonds8

About methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate

methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate (PubChem CID 60654331) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
PubChem CID60654331
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)CCOc1ccc(OC)cc1
InChIInChI=1S/C14H21NO4/c1-15(9-8-14(16)18-3)10-11-19-13-6-4-12(17-2)5-7-13/h4-7H,8-11H2,1-3H3
InChIKeyIWDZMKXXIOYWPZ-UHFFFAOYSA-N
XLogP1.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-[2-[dodecyl(methyl)amino]ethoxy]phenyl]propanoate
CID 22949959
methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
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methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate
CID 78958910
1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
CID 78927381
ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate
CID 62012609
methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
CID 62027354
methyl 3-[methyl-[4-(4-methylphenoxy)butanoyl]amino]propanoate
CID 61030939
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-methylpropanamide
CID 60652618
methyl 4-[2-(3-bromophenoxy)ethyl-methylamino]butanoate
CID 62012123
methyl 4-[2-(3-chlorophenoxy)ethyl-methylamino]butanoate
CID 62011529
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 27075867

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate?
The IUPAC name of methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate (CID 60654331) is methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate is COC(=O)CCN(C)CCOc1ccc(OC)cc1.
What is the InChIKey of methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate?
The InChIKey is IWDZMKXXIOYWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-15(9-8-14(16)18-3)10-11-19-13-6-4-12(17-2)5-7-13/h4-7H,8-11H2,1-3H3.
What are the key properties of methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate?
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate has a molecular weight of 267.32 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate is sourced from PubChem (CID 60654331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).