[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate

C21H23NO5 — CID 16567139

IUPAC[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
SMILESCC(=O)c1ccccc1NC(=O)C(C)OC(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C21H23NO5/c1-13-9-11-17(12-10-13)26-16(4)21(25)27-15(3)20(24)22-19-8-6-5-7-18(19)14(2)23/h5-12,15-16H,1-4H3,(H,22,24)
InChIKeySQNCTKQMZMLENX-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.54
Rot. Bonds7

About [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate

[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate (PubChem CID 16567139) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
PubChem CID16567139
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
SMILESCC(=O)c1ccccc1NC(=O)C(C)OC(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C21H23NO5/c1-13-9-11-17(12-10-13)26-16(4)21(25)27-15(3)20(24)22-19-8-6-5-7-18(19)14(2)23/h5-12,15-16H,1-4H3,(H,22,24)
InChIKeySQNCTKQMZMLENX-UHFFFAOYSA-N
XLogP3.54
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 46622069
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833485
(2R)-N-(2-acetylphenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 8958059
N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 4944490
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 60653440
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 42426832
(2R)-2-(4-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40796627
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833581
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265

Frequently Asked Questions

What is the IUPAC name of [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate?
The IUPAC name of [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate (CID 16567139) is [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate.
What is the SMILES notation for [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate?
The canonical SMILES for [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate is CC(=O)c1ccccc1NC(=O)C(C)OC(=O)C(C)Oc1ccc(C)cc1.
What is the InChIKey of [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate?
The InChIKey is SQNCTKQMZMLENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-13-9-11-17(12-10-13)26-16(4)21(25)27-15(3)20(24)22-19-8-6-5-7-18(19)14(2)23/h5-12,15-16H,1-4H3,(H,22,24).
What are the key properties of [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate?
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate has a molecular weight of 369.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate is sourced from PubChem (CID 16567139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).