2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate

C21H24FNO4 — CID 42903355

IUPAC2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)OCCOc1ccccc1F
InChIInChI=1S/C21H24FNO4/c1-15(2)20(23-19(24)14-16-8-4-3-5-9-16)21(25)27-13-12-26-18-11-7-6-10-17(18)22/h3-11,15,20H,12-14H2,1-2H3,(H,23,24)
InChIKeyQBYSBQKRPLECIY-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.13
Rot. Bonds9

About 2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate

2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate (PubChem CID 42903355) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
PubChem CID42903355
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)OCCOc1ccccc1F
InChIInChI=1S/C21H24FNO4/c1-15(2)20(23-19(24)14-16-8-4-3-5-9-16)21(25)27-13-12-26-18-11-7-6-10-17(18)22/h3-11,15,20H,12-14H2,1-2H3,(H,23,24)
InChIKeyQBYSBQKRPLECIY-UHFFFAOYSA-N
XLogP3.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)sulfanylethyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573213
2-(2-fluorophenoxy)ethyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 40751117
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
2-(2-fluorophenoxy)ethyl (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate
CID 18230809
2-(4-fluorophenoxy)ethyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 7572927
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848214
cyanomethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 42903357
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8564224
[2-(carbamoylamino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573092
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573235
(4-bromophenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848053
2-(2-fluorophenoxy)ethyl 2-(4-fluorophenyl)acetate
CID 78760245

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate (CID 42903355) is 2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate is CC(C)C(NC(=O)Cc1ccccc1)C(=O)OCCOc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate?
The InChIKey is QBYSBQKRPLECIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-15(2)20(23-19(24)14-16-8-4-3-5-9-16)21(25)27-13-12-26-18-11-7-6-10-17(18)22/h3-11,15,20H,12-14H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate?
2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate has a molecular weight of 373.42 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate is sourced from PubChem (CID 42903355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).