[2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate

C22H25NO6 — CID 4317711

IUPAC[2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate
SMILESCCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C22H25NO6/c1-3-28-18-12-10-17(11-13-18)23-21(25)8-5-9-22(26)29-15-20(24)16-6-4-7-19(14-16)27-2/h4,6-7,10-14H,3,5,8-9,15H2,1-2H3,(H,23,25)
InChIKeyMMSWFVBCIAMBGF-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.63
Rot. Bonds11

About [2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate

[2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate (PubChem CID 4317711) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate
PubChem CID4317711
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name[2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate
SMILESCCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C22H25NO6/c1-3-28-18-12-10-17(11-13-18)23-21(25)8-5-9-22(26)29-15-20(24)16-6-4-7-19(14-16)27-2/h4,6-7,10-14H,3,5,8-9,15H2,1-2H3,(H,23,25)
InChIKeyMMSWFVBCIAMBGF-UHFFFAOYSA-N
XLogP3.63
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate with MolForge

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Related Compounds

[2-(3-methoxyphenyl)-2-oxoethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3850666
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133149
(1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-methoxyphenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
CID 3365886
[4-[2-[5-(4-ethoxyanilino)-5-oxopentanoyl]oxyacetyl]phenyl] 4-nitrobenzoate
CID 3279229
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(4-ethoxyanilino)-4-oxobutanoate
CID 2283989
methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate
CID 110424348
ethyl 7-(3-ethoxyanilino)-7-oxoheptanoate
CID 139378123
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
[2-(3-methoxyanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588862

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate?
The IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate (CID 4317711) is [2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate?
The canonical SMILES for [2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate is CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate?
The InChIKey is MMSWFVBCIAMBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-3-28-18-12-10-17(11-13-18)23-21(25)8-5-9-22(26)29-15-20(24)16-6-4-7-19(14-16)27-2/h4,6-7,10-14H,3,5,8-9,15H2,1-2H3,(H,23,25).
What are the key properties of [2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate?
[2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate has a molecular weight of 399.44 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-2-oxoethyl] 5-(4-ethoxyanilino)-5-oxopentanoate is sourced from PubChem (CID 4317711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).