[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate

C20H21NO5 — CID 7841781

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)CCOc1ccccc1C
InChIInChI=1S/C20H21NO5/c1-14-7-3-6-10-18(14)25-12-11-20(24)26-13-19(23)21-17-9-5-4-8-16(17)15(2)22/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyXGJQUDZKDRBWAJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.15
Rot. Bonds8

About [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate

[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 7841781) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
PubChem CID7841781
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)CCOc1ccccc1C
InChIInChI=1S/C20H21NO5/c1-14-7-3-6-10-18(14)25-12-11-20(24)26-13-19(23)21-17-9-5-4-8-16(17)15(2)22/h3-10H,11-13H2,1-2H3,(H,21,23)
InChIKeyXGJQUDZKDRBWAJ-UHFFFAOYSA-N
XLogP3.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139967
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 46789070
N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 4803683
[2-(2-acetylanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8552631
[2-(2-acetylanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7221760
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 7703650
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 30046523
[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 31837897
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555539

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate (CID 7841781) is [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate is CC(=O)c1ccccc1NC(=O)COC(=O)CCOc1ccccc1C.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is XGJQUDZKDRBWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-14-7-3-6-10-18(14)25-12-11-20(24)26-13-19(23)21-17-9-5-4-8-16(17)15(2)22/h3-10H,11-13H2,1-2H3,(H,21,23).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 355.39 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 7841781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).