[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

C14H18FNO5 — CID 8667128

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOCCNC(=O)COC(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H18FNO5/c1-19-6-5-16-13(17)9-21-14(18)8-10-3-4-12(20-2)11(15)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyDPMJVFZFDDRWFT-UHFFFAOYSA-N
MW299.30 g/mol
LogP0.68
Rot. Bonds8

About [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 8667128) has the molecular formula C14H18FNO5 and a molecular weight of 299.30 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID8667128
Molecular FormulaC14H18FNO5
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOCCNC(=O)COC(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H18FNO5/c1-19-6-5-16-13(17)9-21-14(18)8-10-3-4-12(20-2)11(15)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyDPMJVFZFDDRWFT-UHFFFAOYSA-N
XLogP0.68
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 50.68
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-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667587
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667626
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667611
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573383
2-(3-fluoro-4-methoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60682387
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667599
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667630
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774859
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534636
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667030
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667447

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (CID 8667128) is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is COCCNC(=O)COC(=O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is DPMJVFZFDDRWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO5/c1-19-6-5-16-13(17)9-21-14(18)8-10-3-4-12(20-2)11(15)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 299.30 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 8667128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).