[2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate

C28H30N2O6 — CID 17388477

IUPAC[2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
SMILESCOc1ccccc1Oc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C28H30N2O6/c1-19-11-16-23(20(2)17-19)30-27(32)18-35-28(33)10-6-9-26(31)29-21-12-14-22(15-13-21)36-25-8-5-4-7-24(25)34-3/h4-5,7-8,11-17H,6,9-10,18H2,1-3H3,(H,29,31)(H,30,32)
InChIKeySVKVQAGRZULVJH-UHFFFAOYSA-N
MW490.56 g/mol
LogP5.40
Rot. Bonds11

About [2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate

[2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate (PubChem CID 17388477) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is [2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate.

Molecular Properties

Compound Name[2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
PubChem CID17388477
Molecular FormulaC28H30N2O6
Molecular Weight490.56 g/mol
Exact Mass490.21
IUPAC Name[2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
SMILESCOc1ccccc1Oc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C28H30N2O6/c1-19-11-16-23(20(2)17-19)30-27(32)18-35-28(33)10-6-9-26(31)29-21-12-14-22(15-13-21)36-25-8-5-4-7-24(25)34-3/h4-5,7-8,11-17H,6,9-10,18H2,1-3H3,(H,29,31)(H,30,32)
InChIKeySVKVQAGRZULVJH-UHFFFAOYSA-N
XLogP5.40
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate with MolForge

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Related Compounds

[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
CID 17258530
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871146
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 5-[4-(2-chlorophenoxy)anilino]-5-oxopentanoate
CID 17258649
[2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067653
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
[2-(2-methylanilino)-2-oxoethyl] 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxobutanoate
CID 17261912
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-[4-(5-methyl-2-propan-2-ylphenoxy)anilino]-4-oxobutanoate
CID 17258517
propyl 4-[[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 17259988
propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
CID 17259108
[2-(2-methoxyanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212928
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776162
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
CID 17261210

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate?
The IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate (CID 17388477) is [2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate.
What is the SMILES notation for [2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate?
The canonical SMILES for [2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate is COc1ccccc1Oc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of [2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate?
The InChIKey is SVKVQAGRZULVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O6/c1-19-11-16-23(20(2)17-19)30-27(32)18-35-28(33)10-6-9-26(31)29-21-12-14-22(15-13-21)36-25-8-5-4-7-24(25)34-3/h4-5,7-8,11-17H,6,9-10,18H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of [2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate?
[2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate has a molecular weight of 490.56 g/mol, XLogP of 5.40, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate is sourced from PubChem (CID 17388477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).