ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate

C15H23NO3 — CID 60797164

IUPACethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
SMILESCCCNC(C)(C(=O)OCC)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-5-11-16-15(3,14(17)19-6-2)12-7-9-13(18-4)10-8-12/h7-10,16H,5-6,11H2,1-4H3
InChIKeyYLWHWRQZWFXPDI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.47
Rot. Bonds7

About ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate

ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate (PubChem CID 60797164) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
PubChem CID60797164
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
SMILESCCCNC(C)(C(=O)OCC)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-5-11-16-15(3,14(17)19-6-2)12-7-9-13(18-4)10-8-12/h7-10,16H,5-6,11H2,1-4H3
InChIKeyYLWHWRQZWFXPDI-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
CID 60795500
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
ethyl 2-(4-methylsulfonylphenyl)-2-(propylamino)propanoate
CID 60796388
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459
methyl 2-[4-(difluoromethoxy)phenyl]-2-(propylamino)propanoate
CID 60795366
methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate
CID 54918211
2-(2-aminoethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 114990603
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881
ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
CID 60786372
ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
CID 61001287

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate (CID 60797164) is ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate is CCCNC(C)(C(=O)OCC)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate?
The InChIKey is YLWHWRQZWFXPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-11-16-15(3,14(17)19-6-2)12-7-9-13(18-4)10-8-12/h7-10,16H,5-6,11H2,1-4H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate?
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate is sourced from PubChem (CID 60797164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).