ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate

C20H23FN2O5 — CID 99783927

IUPACethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C20H23FN2O5/c1-4-27-19(24)12-28-16-8-6-15(7-9-16)23-20(25)22-13(2)14-5-10-18(26-3)17(21)11-14/h5-11,13H,4,12H2,1-3H3,(H2,22,23,25)/t13-/m1/s1
InChIKeyVONDEHUPRVVCGL-CYBMUJFWSA-N
MW390.41 g/mol
LogP3.66
Rot. Bonds8

About ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate

ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate (PubChem CID 99783927) has the molecular formula C20H23FN2O5 and a molecular weight of 390.41 g/mol. Its IUPAC name is ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate
PubChem CID99783927
Molecular FormulaC20H23FN2O5
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Nameethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C20H23FN2O5/c1-4-27-19(24)12-28-16-8-6-15(7-9-16)23-20(25)22-13(2)14-5-10-18(26-3)17(21)11-14/h5-11,13H,4,12H2,1-3H3,(H2,22,23,25)/t13-/m1/s1
InChIKeyVONDEHUPRVVCGL-CYBMUJFWSA-N
XLogP3.66
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate with MolForge

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
2-(4-acetylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200831
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94016916
N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 95166112
N'-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 71901746
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94038782
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 47246815
methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate
CID 97454994
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 46530040
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892876
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 18200818

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate (CID 99783927) is ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate is CCOC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate?
The InChIKey is VONDEHUPRVVCGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23FN2O5/c1-4-27-19(24)12-28-16-8-6-15(7-9-16)23-20(25)22-13(2)14-5-10-18(26-3)17(21)11-14/h5-11,13H,4,12H2,1-3H3,(H2,22,23,25)/t13-/m1/s1.
What are the key properties of ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate?
ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate has a molecular weight of 390.41 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]carbamoylamino]phenoxy]acetate is sourced from PubChem (CID 99783927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).