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

C16H25NO3 — CID 60795500

IUPACethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
SMILESCCCNC(C)(C(=O)OCC)c1ccc(OCC)cc1
InChIInChI=1S/C16H25NO3/c1-5-12-17-16(4,15(18)20-7-3)13-8-10-14(11-9-13)19-6-2/h8-11,17H,5-7,12H2,1-4H3
InChIKeyYZJFRJXFPYMJMG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.86
Rot. Bonds8

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

ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate (PubChem CID 60795500) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
PubChem CID60795500
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
SMILESCCCNC(C)(C(=O)OCC)c1ccc(OCC)cc1
InChIInChI=1S/C16H25NO3/c1-5-12-17-16(4,15(18)20-7-3)13-8-10-14(11-9-13)19-6-2/h8-11,17H,5-7,12H2,1-4H3
InChIKeyYZJFRJXFPYMJMG-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
ethyl 2-(4-methylsulfonylphenyl)-2-(propylamino)propanoate
CID 60796388
2-[2-(dimethylamino)ethylamino]-2-(4-ethoxyphenyl)propanamide
CID 60991163
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
CID 60786372
methyl 2-[4-(difluoromethoxy)phenyl]-2-(propylamino)propanoate
CID 60795366
ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
CID 61001287
2-(3-azidopropylamino)-2-(4-ethoxyphenyl)propanamide
CID 66167212
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate?
The IUPAC name of ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate (CID 60795500) is ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate?
The canonical SMILES for ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate is CCCNC(C)(C(=O)OCC)c1ccc(OCC)cc1.
What is the InChIKey of ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate?
The InChIKey is YZJFRJXFPYMJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-12-17-16(4,15(18)20-7-3)13-8-10-14(11-9-13)19-6-2/h8-11,17H,5-7,12H2,1-4H3.
What are the key properties of ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate?
ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate has a molecular weight of 279.38 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate is sourced from PubChem (CID 60795500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).