[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

C18H18FNO5 — CID 8002848

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCOc1ccccc1CNC(=O)COC(=O)COc1ccccc1F
InChIInChI=1S/C18H18FNO5/c1-23-15-8-4-2-6-13(15)10-20-17(21)11-25-18(22)12-24-16-9-5-3-7-14(16)19/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyWRPRZTGKBQANIQ-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.07
Rot. Bonds8

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 8002848) has the molecular formula C18H18FNO5 and a molecular weight of 347.34 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID8002848
Molecular FormulaC18H18FNO5
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCOc1ccccc1CNC(=O)COC(=O)COc1ccccc1F
InChIInChI=1S/C18H18FNO5/c1-23-15-8-4-2-6-13(15)10-20-17(21)11-25-18(22)12-24-16-9-5-3-7-14(16)19/h2-9H,10-12H2,1H3,(H,20,21)
InChIKeyWRPRZTGKBQANIQ-UHFFFAOYSA-N
XLogP2.07
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905581
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140316
2-(2-fluorophenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]acetamide
CID 110783085
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 7958312
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842405
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2608364
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(3,4-difluorophenyl)sulfanylpropanoate
CID 8821591
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978023
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879185
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019538

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 8002848) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is COc1ccccc1CNC(=O)COC(=O)COc1ccccc1F.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is WRPRZTGKBQANIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5/c1-23-15-8-4-2-6-13(15)10-20-17(21)11-25-18(22)12-24-16-9-5-3-7-14(16)19/h2-9H,10-12H2,1H3,(H,20,21).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 347.34 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 8002848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).