[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate

C14H18FNO4 — CID 8667574

IUPAC[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCCNC(=O)[C@@H](C)OC(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H18FNO4/c1-4-16-14(18)9(2)20-13(17)8-10-5-6-12(19-3)11(15)7-10/h5-7,9H,4,8H2,1-3H3,(H,16,18)/t9-/m1/s1
InChIKeyUYCQOBDNROKLEE-SECBINFHSA-N
MW283.30 g/mol
LogP1.44
Rot. Bonds6

About [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 8667574) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID8667574
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCCNC(=O)[C@@H](C)OC(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H18FNO4/c1-4-16-14(18)9(2)20-13(17)8-10-5-6-12(19-3)11(15)7-10/h5-7,9H,4,8H2,1-3H3,(H,16,18)/t9-/m1/s1
InChIKeyUYCQOBDNROKLEE-SECBINFHSA-N
XLogP1.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667212
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667211
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667089
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667288
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667346
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667251
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667306
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667630
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667275
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667100
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667304
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667238

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate (CID 8667574) is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate is CCNC(=O)[C@@H](C)OC(=O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is UYCQOBDNROKLEE-SECBINFHSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-4-16-14(18)9(2)20-13(17)8-10-5-6-12(19-3)11(15)7-10/h5-7,9H,4,8H2,1-3H3,(H,16,18)/t9-/m1/s1.
What are the key properties of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate?
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 283.30 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 8667574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).