[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate

C22H25NO5 — CID 9457373

IUPAC[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)c2ccc(NC(=O)C(C)C)cc2)c(C)c1
InChIInChI=1S/C22H25NO5/c1-14(2)22(26)23-18-8-6-17(7-9-18)19(24)12-28-21(25)13-27-20-10-5-15(3)11-16(20)4/h5-11,14H,12-13H2,1-4H3,(H,23,26)
InChIKeyCBMYYYWNMNXTSB-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.70
Rot. Bonds8

About [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate

[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate (PubChem CID 9457373) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
PubChem CID9457373
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)c2ccc(NC(=O)C(C)C)cc2)c(C)c1
InChIInChI=1S/C22H25NO5/c1-14(2)22(26)23-18-8-6-17(7-9-18)19(24)12-28-21(25)13-27-20-10-5-15(3)11-16(20)4/h5-11,14H,12-13H2,1-4H3,(H,23,26)
InChIKeyCBMYYYWNMNXTSB-UHFFFAOYSA-N
XLogP3.70
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)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

[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 40747705
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779350
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814705
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814707
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 9457911
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021138
[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885540
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814595
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885278
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 9485168
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731450

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The IUPAC name of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate (CID 9457373) is [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The canonical SMILES for [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate is Cc1ccc(OCC(=O)OCC(=O)c2ccc(NC(=O)C(C)C)cc2)c(C)c1.
What is the InChIKey of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The InChIKey is CBMYYYWNMNXTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-14(2)22(26)23-18-8-6-17(7-9-18)19(24)12-28-21(25)13-27-20-10-5-15(3)11-16(20)4/h5-11,14H,12-13H2,1-4H3,(H,23,26).
What are the key properties of [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate has a molecular weight of 383.44 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate is sourced from PubChem (CID 9457373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).