[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate

C25H25NO5 — CID 16543759

IUPAC[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OC(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H25NO5/c1-18(30-24(27)17-12-19-8-6-7-11-23(19)29-2)25(28)26-20-13-15-22(16-14-20)31-21-9-4-3-5-10-21/h3-11,13-16,18H,12,17H2,1-2H3,(H,26,28)
InChIKeySVYQABWLYPVLOA-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.99
Rot. Bonds9

About [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate

[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate (PubChem CID 16543759) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate
PubChem CID16543759
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OC(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H25NO5/c1-18(30-24(27)17-12-19-8-6-7-11-23(19)29-2)25(28)26-20-13-15-22(16-14-20)31-21-9-4-3-5-10-21/h3-11,13-16,18H,12,17H2,1-2H3,(H,26,28)
InChIKeySVYQABWLYPVLOA-UHFFFAOYSA-N
XLogP4.99
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate 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-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384492
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384493
[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 9455625
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886117
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384515
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 7524461
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7729395
[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 8671911
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8956013
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-ethoxyacetate
CID 8709124
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 42971001
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 7871072

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate (CID 16543759) is [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OC(C)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is SVYQABWLYPVLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-18(30-24(27)17-12-19-8-6-7-11-23(19)29-2)25(28)26-20-13-15-22(16-14-20)31-21-9-4-3-5-10-21/h3-11,13-16,18H,12,17H2,1-2H3,(H,26,28).
What are the key properties of [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate?
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 419.48 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 16543759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).