2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate

C19H20FNO4 — CID 8885455

IUPAC2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
SMILESCc1cccc(C(=O)N[C@@H](C)C(=O)OCCOc2ccc(F)cc2)c1
InChIInChI=1S/C19H20FNO4/c1-13-4-3-5-15(12-13)18(22)21-14(2)19(23)25-11-10-24-17-8-6-16(20)7-9-17/h3-9,12,14H,10-11H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyYQSOIJVQVJFGDR-AWEZNQCLSA-N
MW345.37 g/mol
LogP2.87
Rot. Bonds7

About 2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate

2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate (PubChem CID 8885455) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
PubChem CID8885455
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
SMILESCc1cccc(C(=O)N[C@@H](C)C(=O)OCCOc2ccc(F)cc2)c1
InChIInChI=1S/C19H20FNO4/c1-13-4-3-5-15(12-13)18(22)21-14(2)19(23)25-11-10-24-17-8-6-16(20)7-9-17/h3-9,12,14H,10-11H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyYQSOIJVQVJFGDR-AWEZNQCLSA-N
XLogP2.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.87
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

propyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20836849
propyl 2-[(3-fluorobenzoyl)amino]propanoate
CID 6422568
2-(4-chlorophenoxy)ethyl (2S)-2-benzamidopropanoate
CID 7571927
phenacyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884992
[2-(dimethylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885262
pentyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20836852
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885264
heptadecyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20837263
heptyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20836854
N'-[4-(2-methoxyethoxy)benzoyl]-3-methylbenzohydrazide
CID 17353579
2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662514
[2-(3-methylanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884724

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate (CID 8885455) is 2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate is Cc1cccc(C(=O)N[C@@H](C)C(=O)OCCOc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate?
The InChIKey is YQSOIJVQVJFGDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-13-4-3-5-15(12-13)18(22)21-14(2)19(23)25-11-10-24-17-8-6-16(20)7-9-17/h3-9,12,14H,10-11H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate?
2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate has a molecular weight of 345.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 8885455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).