ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate

C15H20FNO4 — CID 61012668

IUPACethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCOc1ccccc1F
InChIInChI=1S/C15H20FNO4/c1-3-17(11-15(19)20-4-2)14(18)9-10-21-13-8-6-5-7-12(13)16/h5-8H,3-4,9-11H2,1-2H3
InChIKeyNHWNYOPEANSLGS-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.01
Rot. Bonds8

About ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate

ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate (PubChem CID 61012668) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate
PubChem CID61012668
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Nameethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCOc1ccccc1F
InChIInChI=1S/C15H20FNO4/c1-3-17(11-15(19)20-4-2)14(18)9-10-21-13-8-6-5-7-12(13)16/h5-8H,3-4,9-11H2,1-2H3
InChIKeyNHWNYOPEANSLGS-UHFFFAOYSA-N
XLogP2.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorophenoxy)butan-2-one
CID 28948853
methyl 2-[ethyl-[2-(2-fluorophenoxy)acetyl]amino]acetate
CID 54979366
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
ethyl 2-[3-(3-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012247
2-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]acetic acid
CID 61022363
ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate
CID 61011840
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584118
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 115775553
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 43365238

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate (CID 61012668) is ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate is CCOC(=O)CN(CC)C(=O)CCOc1ccccc1F.
What is the InChIKey of ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate?
The InChIKey is NHWNYOPEANSLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-3-17(11-15(19)20-4-2)14(18)9-10-21-13-8-6-5-7-12(13)16/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate?
ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate has a molecular weight of 297.33 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate is sourced from PubChem (CID 61012668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).