ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate

C15H23NO3 — CID 115494377

IUPACethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate
SMILESCCOC(=O)CCCNC(C)Cc1ccc(O)cc1
InChIInChI=1S/C15H23NO3/c1-3-19-15(18)5-4-10-16-12(2)11-13-6-8-14(17)9-7-13/h6-9,12,16-17H,3-5,10-11H2,1-2H3
InChIKeyFLFPOYFIRDLPAQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.26
Rot. Bonds8

About ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate

ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate (PubChem CID 115494377) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate
PubChem CID115494377
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate
SMILESCCOC(=O)CCCNC(C)Cc1ccc(O)cc1
InChIInChI=1S/C15H23NO3/c1-3-19-15(18)5-4-10-16-12(2)11-13-6-8-14(17)9-7-13/h6-9,12,16-17H,3-5,10-11H2,1-2H3
InChIKeyFLFPOYFIRDLPAQ-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate
CID 64580660
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
4-[2-(decylamino)propyl]phenol
CID 115494442
methyl 4-[1-(4-chlorophenyl)propan-2-ylamino]butanoate
CID 103917108
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
4-[2-(3-fluoropropylamino)propyl]phenol
CID 110174731
ethyl 3-[(4-hydroxyphenyl)methylamino]butanoate
CID 114331729
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
ethyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]acetate
CID 60811877
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
CID 115494998

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate?
The IUPAC name of ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate (CID 115494377) is ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate.
What is the SMILES notation for ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate?
The canonical SMILES for ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate is CCOC(=O)CCCNC(C)Cc1ccc(O)cc1.
What is the InChIKey of ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate?
The InChIKey is FLFPOYFIRDLPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-19-15(18)5-4-10-16-12(2)11-13-6-8-14(17)9-7-13/h6-9,12,16-17H,3-5,10-11H2,1-2H3.
What are the key properties of ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate?
ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate is sourced from PubChem (CID 115494377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).