ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate

C16H22FNO5 — CID 69220603

IUPACethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(N(C)C(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C16H22FNO5/c1-6-21-14(19)10-22-13-8-7-11(9-12(13)17)18(5)15(20)23-16(2,3)4/h7-9H,6,10H2,1-5H3
InChIKeyIYCVERBBLQYFHZ-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.14
Rot. Bonds5

About ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate

ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate (PubChem CID 69220603) has the molecular formula C16H22FNO5 and a molecular weight of 327.35 g/mol. Its IUPAC name is ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate
PubChem CID69220603
Molecular FormulaC16H22FNO5
Molecular Weight327.35 g/mol
Exact Mass327.15
IUPAC Nameethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(N(C)C(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C16H22FNO5/c1-6-21-14(19)10-22-13-8-7-11(9-12(13)17)18(5)15(20)23-16(2,3)4/h7-9H,6,10H2,1-5H3
InChIKeyIYCVERBBLQYFHZ-UHFFFAOYSA-N
XLogP3.14
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[4-(2-ethoxy-2-oxoethoxy)-3-fluoroanilino]acetate
CID 69220601
2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
CID 115161900
ethyl (E)-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]prop-2-enoate
CID 149254408
ethyl 2-(2-fluoro-4-nitrophenoxy)acetate
CID 43259205
tert-butyl 2-[2-amino-4-[methyl(phenylmethoxycarbonyl)amino]phenoxy]acetate
CID 89143806
3-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylpropanamide
CID 115162416
tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl 2-(2,4,5-trifluorophenoxy)acetate
CID 91623166
3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
[3-fluoro-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl] butanoate
CID 91331019
4-amino-N-(4-ethoxy-3-fluorophenyl)-N,2-dimethylbutanamide
CID 115155974
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate (CID 69220603) is ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate is CCOC(=O)COc1ccc(N(C)C(=O)OC(C)(C)C)cc1F.
What is the InChIKey of ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate?
The InChIKey is IYCVERBBLQYFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO5/c1-6-21-14(19)10-22-13-8-7-11(9-12(13)17)18(5)15(20)23-16(2,3)4/h7-9H,6,10H2,1-5H3.
What are the key properties of ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate?
ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate has a molecular weight of 327.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-fluoro-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenoxy]acetate is sourced from PubChem (CID 69220603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).