ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate

C22H25NO5 — CID 57048932

IUPACethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)C(NC(=O)[C@H](O)c1ccccc1)CCC2
InChIInChI=1S/C22H25NO5/c1-2-27-20(24)14-28-17-12-11-15-9-6-10-19(18(15)13-17)23-22(26)21(25)16-7-4-3-5-8-16/h3-5,7-8,11-13,19,21,25H,2,6,9-10,14H2,1H3,(H,23,26)/t19?,21-/m1/s1
InChIKeyIDUHXQMJPRXTNY-VGAJERRHSA-N
MW383.44 g/mol
LogP2.86
Rot. Bonds7

About ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate

ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate (PubChem CID 57048932) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
PubChem CID57048932
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Nameethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)C(NC(=O)[C@H](O)c1ccccc1)CCC2
InChIInChI=1S/C22H25NO5/c1-2-27-20(24)14-28-17-12-11-15-9-6-10-19(18(15)13-17)23-22(26)21(25)16-7-4-3-5-8-16/h3-5,7-8,11-13,19,21,25H,2,6,9-10,14H2,1H3,(H,23,26)/t19?,21-/m1/s1
InChIKeyIDUHXQMJPRXTNY-VGAJERRHSA-N
XLogP2.86
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate with MolForge

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Related Compounds

ethyl 2-[[(6S)-6-[[(1S)-1-phenylethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate
CID 11314618
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7606118
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7605781
ethyl 2-[[(6S)-6-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate;hydrochloride
CID 70131486
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 111538143
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-naphthalen-2-yloxyacetate
CID 4611696
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8911653
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821281
ethyl 2-[[6-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate;oxalic acid
CID 67685769
N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 110882312
ethyl 2-[[(6S)-6-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate;hydrate;hydrochloride
CID 140564576
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 9326612

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate (CID 57048932) is ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate is CCOC(=O)COc1ccc2c(c1)C(NC(=O)[C@H](O)c1ccccc1)CCC2.
What is the InChIKey of ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate?
The InChIKey is IDUHXQMJPRXTNY-VGAJERRHSA-N. The full InChI is InChI=1S/C22H25NO5/c1-2-27-20(24)14-28-17-12-11-15-9-6-10-19(18(15)13-17)23-22(26)21(25)16-7-4-3-5-8-16/h3-5,7-8,11-13,19,21,25H,2,6,9-10,14H2,1H3,(H,23,26)/t19?,21-/m1/s1.
What are the key properties of ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate?
ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate has a molecular weight of 383.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[8-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate is sourced from PubChem (CID 57048932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).