methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate

C15H23NO3 — CID 55084996

IUPACmethyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate
SMILESCCCc1ccc(OCC(NCC)C(=O)OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-6-12-7-9-13(10-8-12)19-11-14(16-5-2)15(17)18-3/h7-10,14,16H,4-6,11H2,1-3H3
InChIKeyIRMLHLJEJZVMIZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.17
Rot. Bonds8

About methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate

methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate (PubChem CID 55084996) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate
PubChem CID55084996
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate
SMILESCCCc1ccc(OCC(NCC)C(=O)OC)cc1
InChIInChI=1S/C15H23NO3/c1-4-6-12-7-9-13(10-8-12)19-11-14(16-5-2)15(17)18-3/h7-10,14,16H,4-6,11H2,1-3H3
InChIKeyIRMLHLJEJZVMIZ-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(4-butylphenoxy)propanoate
CID 115492132
methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
CID 63034457
methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate
CID 63039162
methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
CID 63033883
methyl 2-(4-propylphenoxy)acetate
CID 19911850
2-(ethylamino)-4-[4-(2-methoxyethyl)phenoxy]butanamide
CID 63033346
methyl (2S)-2-(ethylamino)-3-[4-(4-hydroxyphenoxy)phenyl]propanoate
CID 140972892
methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
CID 63040222
ethyl 3-(4-ethylphenoxy)-2-methylpropanoate
CID 115002229
methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate
CID 82349363
methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate
CID 107170379
methyl 2-amino-4-(4-propylphenyl)butanoate
CID 116851455

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate?
The IUPAC name of methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate (CID 55084996) is methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate?
The canonical SMILES for methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate is CCCc1ccc(OCC(NCC)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate?
The InChIKey is IRMLHLJEJZVMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-6-12-7-9-13(10-8-12)19-11-14(16-5-2)15(17)18-3/h7-10,14,16H,4-6,11H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate?
methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate is sourced from PubChem (CID 55084996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).