[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate

C27H23NO5 — CID 2445348

IUPAC[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate
SMILESC[C@H](OC(=O)COc1cccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H23NO5/c1-19(32-26(29)18-31-25-13-7-9-20-8-5-6-12-24(20)25)27(30)28-21-14-16-23(17-15-21)33-22-10-3-2-4-11-22/h2-17,19H,18H2,1H3,(H,28,30)/t19-/m0/s1
InChIKeyHPUHSVUKEMRUDV-IBGZPJMESA-N
MW441.48 g/mol
LogP5.58
Rot. Bonds8

About [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate

[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate (PubChem CID 2445348) has the molecular formula C27H23NO5 and a molecular weight of 441.48 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate
PubChem CID2445348
Molecular FormulaC27H23NO5
Molecular Weight441.48 g/mol
Exact Mass441.16
IUPAC Name[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate
SMILESC[C@H](OC(=O)COc1cccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H23NO5/c1-19(32-26(29)18-31-25-13-7-9-20-8-5-6-12-24(20)25)27(30)28-21-14-16-23(17-15-21)33-22-10-3-2-4-11-22/h2-17,19H,18H2,1H3,(H,28,30)/t19-/m0/s1
InChIKeyHPUHSVUKEMRUDV-IBGZPJMESA-N
XLogP5.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate
CID 8709124
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821299
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate
CID 7981984
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate
CID 3585051
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 16543759
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8527949
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854094
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate
CID 2593227
[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 8671911
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855492
2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 43886755

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate?
The IUPAC name of [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate (CID 2445348) is [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate.
What is the SMILES notation for [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate?
The canonical SMILES for [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate is C[C@H](OC(=O)COc1cccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate?
The InChIKey is HPUHSVUKEMRUDV-IBGZPJMESA-N. The full InChI is InChI=1S/C27H23NO5/c1-19(32-26(29)18-31-25-13-7-9-20-8-5-6-12-24(20)25)27(30)28-21-14-16-23(17-15-21)33-22-10-3-2-4-11-22/h2-17,19H,18H2,1H3,(H,28,30)/t19-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate?
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate has a molecular weight of 441.48 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-naphthalen-1-yloxyacetate is sourced from PubChem (CID 2445348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).