[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate

C23H22N2O5 — CID 8821299

IUPAC[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H22N2O5/c1-15(23(28)25-20-10-8-19(9-11-20)24-16(2)26)30-22(27)14-29-21-12-7-17-5-3-4-6-18(17)13-21/h3-13,15H,14H2,1-2H3,(H,24,26)(H,25,28)/t15-/m0/s1
InChIKeyZTLBMQFBLQEQQI-HNNXBMFYSA-N
MW406.44 g/mol
LogP3.75
Rot. Bonds7

About [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate (PubChem CID 8821299) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
PubChem CID8821299
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H22N2O5/c1-15(23(28)25-20-10-8-19(9-11-20)24-16(2)26)30-22(27)14-29-21-12-7-17-5-3-4-6-18(17)13-21/h3-13,15H,14H2,1-2H3,(H,24,26)(H,25,28)/t15-/m0/s1
InChIKeyZTLBMQFBLQEQQI-HNNXBMFYSA-N
XLogP3.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7902922
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 7853653
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate
CID 7844674
[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821388
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 3667679
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 2594631
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855492
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate
CID 2445348
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 46629577
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821392
naphthalen-2-yl 2-(3-acetamidophenoxy)acetate
CID 18870014

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate (CID 8821299) is [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate is CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate?
The InChIKey is ZTLBMQFBLQEQQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-15(23(28)25-20-10-8-19(9-11-20)24-16(2)26)30-22(27)14-29-21-12-7-17-5-3-4-6-18(17)13-21/h3-13,15H,14H2,1-2H3,(H,24,26)(H,25,28)/t15-/m0/s1.
What are the key properties of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate?
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate has a molecular weight of 406.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 8821299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).