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

C16H22FNO4 — CID 78902033

IUPACethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C16H22FNO4/c1-4-9-18(11-15(19)21-5-2)16(20)12(3)22-14-8-6-7-13(17)10-14/h6-8,10,12H,4-5,9,11H2,1-3H3
InChIKeyNDTHUKPZLUQXQX-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.39
Rot. Bonds8

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

ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate (PubChem CID 78902033) has the molecular formula C16H22FNO4 and a molecular weight of 311.35 g/mol. Its IUPAC name is ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate
PubChem CID78902033
Molecular FormulaC16H22FNO4
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Nameethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C16H22FNO4/c1-4-9-18(11-15(19)21-5-2)16(20)12(3)22-14-8-6-7-13(17)10-14/h6-8,10,12H,4-5,9,11H2,1-3H3
InChIKeyNDTHUKPZLUQXQX-UHFFFAOYSA-N
XLogP2.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate
CID 97027871
ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645
ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012258
2-(4-fluorophenoxy)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 60656705
4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid
CID 43360056
2-[2-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 62626189
3-[(3,4-difluorophenyl)methyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid
CID 119208139
2-(3-fluorophenoxy)propanoyl chloride
CID 139218096
3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid
CID 60845409
1-chloro-3-(3-fluorophenoxy)butan-2-one
CID 82040238
N-butyl-N-ethyl-2-phenoxypropanamide
CID 2915016
ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 54898758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate?
The IUPAC name of ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate (CID 78902033) is ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)C(C)Oc1cccc(F)c1.
What is the InChIKey of ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate?
The InChIKey is NDTHUKPZLUQXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4/c1-4-9-18(11-15(19)21-5-2)16(20)12(3)22-14-8-6-7-13(17)10-14/h6-8,10,12H,4-5,9,11H2,1-3H3.
What are the key properties of ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate?
ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate has a molecular weight of 311.35 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-fluorophenoxy)propanoyl-propylamino]acetate is sourced from PubChem (CID 78902033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).