[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate

C24H23NO5 — CID 8806359

IUPAC[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H23NO5/c1-16(21-9-5-7-19-6-3-4-8-22(19)21)25-23(27)14-30-24(28)15-29-20-12-10-18(11-13-20)17(2)26/h3-13,16H,14-15H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyXCQIJTACFKJVOA-INIZCTEOSA-N
MW405.45 g/mol
LogP3.84
Rot. Bonds8

About [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate

[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate (PubChem CID 8806359) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
PubChem CID8806359
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H23NO5/c1-16(21-9-5-7-19-6-3-4-8-22(19)21)25-23(27)14-30-24(28)15-29-20-12-10-18(11-13-20)17(2)26/h3-13,16H,14-15H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyXCQIJTACFKJVOA-INIZCTEOSA-N
XLogP3.84
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate with MolForge

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Related Compounds

[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018310
2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethoxy]phenyl]acetic acid
CID 42933234
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855207
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 7697704
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 8579156
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 46607306
methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8806342
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196611
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9080532
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228968
2-(2-hydroxyphenoxy)-N-(1-naphthalen-1-ylethyl)acetamide
CID 78777927
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 9491544

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The IUPAC name of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate (CID 8806359) is [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The canonical SMILES for [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate is CC(=O)c1ccc(OCC(=O)OCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1.
What is the InChIKey of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The InChIKey is XCQIJTACFKJVOA-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23NO5/c1-16(21-9-5-7-19-6-3-4-8-22(19)21)25-23(27)14-30-24(28)15-29-20-12-10-18(11-13-20)17(2)26/h3-13,16H,14-15H2,1-2H3,(H,25,27)/t16-/m0/s1.
What are the key properties of [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate has a molecular weight of 405.45 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate is sourced from PubChem (CID 8806359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).