ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate

C14H20FNO4 — CID 65096691

IUPACethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate
SMILESCCOC(=O)C(NCCOC)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO4/c1-4-20-14(17)13(16-7-8-18-2)10-5-6-12(19-3)11(15)9-10/h5-6,9,13,16H,4,7-8H2,1-3H3
InChIKeySZCAPLGIOIOHDP-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.67
Rot. Bonds8

About ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate

ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate (PubChem CID 65096691) has the molecular formula C14H20FNO4 and a molecular weight of 285.31 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate
PubChem CID65096691
Molecular FormulaC14H20FNO4
Molecular Weight285.31 g/mol
Exact Mass285.14
IUPAC Nameethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate
SMILESCCOC(=O)C(NCCOC)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO4/c1-4-20-14(17)13(16-7-8-18-2)10-5-6-12(19-3)11(15)9-10/h5-6,9,13,16H,4,7-8H2,1-3H3
InChIKeySZCAPLGIOIOHDP-UHFFFAOYSA-N
XLogP1.67
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.67
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

ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate
CID 107690318
diethyl 2-(3-fluoro-4-methoxyphenyl)propanedioate
CID 62795748
2-(2-methoxyethylamino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62542227
ethyl (2S)-2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-(3-fluoro-4-methoxyphenyl)acetate
CID 99786695
methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62540494
ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171865985
methyl 2-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)acetate
CID 65096642
ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
CID 60797038
2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 65026801
ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338
ethyl 2-(5-bromo-2-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62542248
methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate
CID 112508521

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate?
The IUPAC name of ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate (CID 65096691) is ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate.
What is the SMILES notation for ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate?
The canonical SMILES for ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate is CCOC(=O)C(NCCOC)c1ccc(OC)c(F)c1.
What is the InChIKey of ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate?
The InChIKey is SZCAPLGIOIOHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4/c1-4-20-14(17)13(16-7-8-18-2)10-5-6-12(19-3)11(15)9-10/h5-6,9,13,16H,4,7-8H2,1-3H3.
What are the key properties of ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate?
ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate has a molecular weight of 285.31 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 65096691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).