2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate

C24H25NO5 — CID 55316536

IUPAC2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCCc1cccc(OCCOC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)c1
InChIInChI=1S/C24H25NO5/c1-2-18-10-6-11-20(16-18)28-14-15-30-24(27)21(17-19-8-4-3-5-9-19)25-23(26)22-12-7-13-29-22/h3-13,16,21H,2,14-15,17H2,1H3,(H,25,26)
InChIKeyHJIBJVISYJOISL-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.81
Rot. Bonds10

About 2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate

2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 55316536) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID55316536
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCCc1cccc(OCCOC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)c1
InChIInChI=1S/C24H25NO5/c1-2-18-10-6-11-20(16-18)28-14-15-30-24(27)21(17-19-8-4-3-5-9-19)25-23(26)22-12-7-13-29-22/h3-13,16,21H,2,14-15,17H2,1H3,(H,25,26)
InChIKeyHJIBJVISYJOISL-UHFFFAOYSA-N
XLogP3.81
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)ethyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578888
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
[2-oxo-2-(propylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567045
3-pyridin-3-ylpropyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78772681
3-pyridin-4-ylpropyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78772298
[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55936409
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate
CID 66813442
methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate
CID 55935790
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858
(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78761330
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of 2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 55316536) is 2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for 2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for 2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate is CCc1cccc(OCCOC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is HJIBJVISYJOISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-2-18-10-6-11-20(16-18)28-14-15-30-24(27)21(17-19-8-4-3-5-9-19)25-23(26)22-12-7-13-29-22/h3-13,16,21H,2,14-15,17H2,1H3,(H,25,26).
What are the key properties of 2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate?
2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 407.47 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 55316536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).