ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate

C15H23NO3 — CID 64580660

IUPACethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate
SMILESCCOC(=O)CCCNC(CC)c1ccc(O)cc1
InChIInChI=1S/C15H23NO3/c1-3-14(12-7-9-13(17)10-8-12)16-11-5-6-15(18)19-4-2/h7-10,14,16-17H,3-6,11H2,1-2H3
InChIKeySDEQALMGLFJPPJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.78
Rot. Bonds8

About ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate

ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate (PubChem CID 64580660) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate
PubChem CID64580660
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate
SMILESCCOC(=O)CCCNC(CC)c1ccc(O)cc1
InChIInChI=1S/C15H23NO3/c1-3-14(12-7-9-13(17)10-8-12)16-11-5-6-15(18)19-4-2/h7-10,14,16-17H,3-6,11H2,1-2H3
InChIKeySDEQALMGLFJPPJ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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

methyl 4-[1-(4-fluorophenyl)propylamino]butanoate
CID 54920511
ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate
CID 115494377
ethyl 4-[1-(5-bromo-2-hydroxyphenyl)propylamino]butanoate
CID 64580649
2-[1-(4-hydroxyphenyl)propylamino]ethylurea
CID 83110517
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174
4-[1-(4-methoxyphenyl)propylamino]butanoic acid
CID 54920949
ethyl 4-[1-[4-(dimethylamino)phenyl]ethylamino]butanoate
CID 64578318
ethyl 2-[1-(4-fluorophenyl)propylamino]acetate
CID 60811601
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
ethyl 2-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64670192
ethyl 4-chloro-4-(4-hydroxyphenyl)butanoate
CID 103440139
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate?
The IUPAC name of ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate (CID 64580660) is ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate.
What is the SMILES notation for ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate?
The canonical SMILES for ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate is CCOC(=O)CCCNC(CC)c1ccc(O)cc1.
What is the InChIKey of ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate?
The InChIKey is SDEQALMGLFJPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-14(12-7-9-13(17)10-8-12)16-11-5-6-15(18)19-4-2/h7-10,14,16-17H,3-6,11H2,1-2H3.
What are the key properties of ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate?
ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.78, 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)propylamino]butanoate is sourced from PubChem (CID 64580660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).