[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate

C20H21NO5 — CID 6915084

IUPAC[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OC(C)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C20H21NO5/c1-4-25-18-10-8-15(9-11-18)20(24)26-14(3)19(23)21-17-7-5-6-16(12-17)13(2)22/h5-12,14H,4H2,1-3H3,(H,21,23)
InChIKeyMYFIPQOZWQJGCF-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.47
Rot. Bonds7

About [1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate

[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate (PubChem CID 6915084) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
PubChem CID6915084
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OC(C)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C20H21NO5/c1-4-25-18-10-8-15(9-11-18)20(24)26-14(3)19(23)21-17-7-5-6-16(12-17)13(2)22/h5-12,14H,4H2,1-3H3,(H,21,23)
InChIKeyMYFIPQOZWQJGCF-UHFFFAOYSA-N
XLogP3.47
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 2603355
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 2500969
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7780965
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 46629707
[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 2521766
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606094
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751738
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751736
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 9325873
methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751650
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 6915148

Frequently Asked Questions

What is the IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate?
The IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate (CID 6915084) is [1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate.
What is the SMILES notation for [1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate?
The canonical SMILES for [1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OC(C)C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of [1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate?
The InChIKey is MYFIPQOZWQJGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-4-25-18-10-8-15(9-11-18)20(24)26-14(3)19(23)21-17-7-5-6-16(12-17)13(2)22/h5-12,14H,4H2,1-3H3,(H,21,23).
What are the key properties of [1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate?
[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate has a molecular weight of 355.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate is sourced from PubChem (CID 6915084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).