[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

C22H24FNO4 — CID 7578462

IUPAC[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C22H24FNO4/c1-15(22(26)24-12-11-16-5-8-19(23)9-6-16)28-21(25)14-27-20-10-7-17-3-2-4-18(17)13-20/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyUBOZZWOXAXDYKP-OAHLLOKOSA-N
MW385.44 g/mol
LogP2.98
Rot. Bonds8

About [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 7578462) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

Compound Name[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
PubChem CID7578462
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Name[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C22H24FNO4/c1-15(22(26)24-12-11-16-5-8-19(23)9-6-16)28-21(25)14-27-20-10-7-17-3-2-4-18(17)13-20/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyUBOZZWOXAXDYKP-OAHLLOKOSA-N
XLogP2.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234960
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100562896
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 55418829
[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 9309142
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7578295
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 8601395
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate
CID 7982035
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011674
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7578479
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133199284
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791453
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 8923017

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The IUPAC name of [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 7578462) is [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.
What is the SMILES notation for [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The canonical SMILES for [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is C[C@@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The InChIKey is UBOZZWOXAXDYKP-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24FNO4/c1-15(22(26)24-12-11-16-5-8-19(23)9-6-16)28-21(25)14-27-20-10-7-17-3-2-4-18(17)13-20/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,24,26)/t15-/m1/s1.
What are the key properties of [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 385.44 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 7578462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).