[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate

C23H21NO4 — CID 46790161

IUPAC[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
SMILESCC(=O)c1cccc(NC(=O)C(C)OC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C23H21NO4/c1-15(25)18-9-6-11-20(13-18)24-23(27)16(2)28-22(26)14-19-10-5-8-17-7-3-4-12-21(17)19/h3-13,16H,14H2,1-2H3,(H,24,27)
InChIKeyWZNIKVBYOWWKFC-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.16
Rot. Bonds6

About [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate

[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate (PubChem CID 46790161) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
PubChem CID46790161
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
SMILESCC(=O)c1cccc(NC(=O)C(C)OC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C23H21NO4/c1-15(25)18-9-6-11-20(13-18)24-23(27)16(2)28-22(26)14-19-10-5-8-17-7-3-4-12-21(17)19/h3-13,16H,14H2,1-2H3,(H,24,27)
InChIKeyWZNIKVBYOWWKFC-UHFFFAOYSA-N
XLogP4.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylacetate
CID 7828500
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901535
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8609563
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786471
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8983290
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750150
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7706284
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
CID 7782801
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7847996
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 7654441
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790319
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 29486179

Frequently Asked Questions

What is the IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate?
The IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate (CID 46790161) is [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate is CC(=O)c1cccc(NC(=O)C(C)OC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate?
The InChIKey is WZNIKVBYOWWKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-15(25)18-9-6-11-20(13-18)24-23(27)16(2)28-22(26)14-19-10-5-8-17-7-3-4-12-21(17)19/h3-13,16H,14H2,1-2H3,(H,24,27).
What are the key properties of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate?
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate has a molecular weight of 375.42 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 46790161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).