ethyl 4-phenyl-2-(propylamino)butanoate

C15H23NO2 — CID 62880935

IUPACethyl 4-phenyl-2-(propylamino)butanoate
SMILESCCCNC(CCc1ccccc1)C(=O)OCC
InChIInChI=1S/C15H23NO2/c1-3-12-16-14(15(17)18-4-2)11-10-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3
InChIKeyGFNXGDSGOFLUBP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.55
Rot. Bonds8

About ethyl 4-phenyl-2-(propylamino)butanoate

ethyl 4-phenyl-2-(propylamino)butanoate (PubChem CID 62880935) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 4-phenyl-2-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-phenyl-2-(propylamino)butanoate
PubChem CID62880935
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 4-phenyl-2-(propylamino)butanoate
SMILESCCCNC(CCc1ccccc1)C(=O)OCC
InChIInChI=1S/C15H23NO2/c1-3-12-16-14(15(17)18-4-2)11-10-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3
InChIKeyGFNXGDSGOFLUBP-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-aminopentylamino)-4-phenylbutanoate
CID 70340285
ethyl 4-phenyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 62879401
methyl 4-hydroxy-2-(propylamino)butanoate;3-phenylpropan-1-ol
CID 174808720
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
benzyl (2S)-4-hydroxy-2-(propylamino)butanoate;hydrochloride
CID 172732914
ethyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881288
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl carbonochloridate;4-hydroxy-2-(propylamino)butanoic acid;3-phenylpropan-1-ol
CID 174956567
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
methyl 2-(3-phenylpropylamino)hexanoate
CID 113341951
ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate
CID 13345970

Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-2-(propylamino)butanoate?
The IUPAC name of ethyl 4-phenyl-2-(propylamino)butanoate (CID 62880935) is ethyl 4-phenyl-2-(propylamino)butanoate.
What is the SMILES notation for ethyl 4-phenyl-2-(propylamino)butanoate?
The canonical SMILES for ethyl 4-phenyl-2-(propylamino)butanoate is CCCNC(CCc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 4-phenyl-2-(propylamino)butanoate?
The InChIKey is GFNXGDSGOFLUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-12-16-14(15(17)18-4-2)11-10-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3.
What are the key properties of ethyl 4-phenyl-2-(propylamino)butanoate?
ethyl 4-phenyl-2-(propylamino)butanoate has a molecular weight of 249.35 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-2-(propylamino)butanoate is sourced from PubChem (CID 62880935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).