methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate

C22H25NO6 — CID 8598157

IUPACmethyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COC(=O)COc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H25NO6/c1-14(2)16-7-9-18(10-8-16)28-13-21(25)29-12-20(24)23-19-11-17(22(26)27-4)6-5-15(19)3/h5-11,14H,12-13H2,1-4H3,(H,23,24)
InChIKeyVDGKZPKNVFVWIN-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.47
Rot. Bonds8

About methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate

methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate (PubChem CID 8598157) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate
PubChem CID8598157
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Namemethyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COC(=O)COc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H25NO6/c1-14(2)16-7-9-18(10-8-16)28-13-21(25)29-12-20(24)23-19-11-17(22(26)27-4)6-5-15(19)3/h5-11,14H,12-13H2,1-4H3,(H,23,24)
InChIKeyVDGKZPKNVFVWIN-UHFFFAOYSA-N
XLogP3.47
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 806985
methyl 4-methyl-3-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848077
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 40696696
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8597894
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326721
methyl 3-[[2-[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]amino]-4-methylbenzoate
CID 55925804
ethyl 3-chloro-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 99949279
methyl 3-[[2-[2-(3,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]-4-methylbenzoate
CID 7352550
methyl 4-chloro-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzoate
CID 8910012
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598008
methyl 3-[[2-[2-(2,2-dimethylpropanoylamino)propanoyloxy]acetyl]amino]-4-methylbenzoate
CID 42939175
methyl 3-[[2-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]oxyacetyl]amino]-4-methylbenzoate
CID 33240444

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate (CID 8598157) is methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)COC(=O)COc2ccc(C(C)C)cc2)c1.
What is the InChIKey of methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is VDGKZPKNVFVWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-14(2)16-7-9-18(10-8-16)28-13-21(25)29-12-20(24)23-19-11-17(22(26)27-4)6-5-15(19)3/h5-11,14H,12-13H2,1-4H3,(H,23,24).
What are the key properties of methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate?
methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 399.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[2-[2-(4-propan-2-ylphenoxy)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 8598157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).