[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate

C21H24N2O5 — CID 7844674

IUPAC[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H24N2O5/c1-4-16-5-11-19(12-6-16)27-13-20(25)28-14(2)21(26)23-18-9-7-17(8-10-18)22-15(3)24/h5-12,14H,4,13H2,1-3H3,(H,22,24)(H,23,26)/t14-/m1/s1
InChIKeyDOOLESFXLJHLPL-CQSZACIVSA-N
MW384.43 g/mol
LogP3.16
Rot. Bonds8

About [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate (PubChem CID 7844674) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate
PubChem CID7844674
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H24N2O5/c1-4-16-5-11-19(12-6-16)27-13-20(25)28-14(2)21(26)23-18-9-7-17(8-10-18)22-15(3)24/h5-12,14H,4,13H2,1-3H3,(H,22,24)(H,23,26)/t14-/m1/s1
InChIKeyDOOLESFXLJHLPL-CQSZACIVSA-N
XLogP3.16
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate 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-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 7853653
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821299
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-formylphenoxy)acetate
CID 8733496
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate
CID 18273755
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 7865624
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791456
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842589
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate
CID 9272416
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] propanoate
CID 7851109
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 7855111

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate (CID 7844674) is [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate?
The InChIKey is DOOLESFXLJHLPL-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-16-5-11-19(12-6-16)27-13-20(25)28-14(2)21(26)23-18-9-7-17(8-10-18)22-15(3)24/h5-12,14H,4,13H2,1-3H3,(H,22,24)(H,23,26)/t14-/m1/s1.
What are the key properties of [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate?
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate has a molecular weight of 384.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 7844674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).