[2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate

C22H26N2O5 — CID 9067653

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
SMILESCCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C22H26N2O5/c1-3-16-7-4-5-8-19(16)24-20(25)9-6-10-22(27)29-15-21(26)23-17-11-13-18(28-2)14-12-17/h4-5,7-8,11-14H,3,6,9-10,15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyIASFNNZDQFRTIP-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.55
Rot. Bonds10

About [2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate

[2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate (PubChem CID 9067653) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
PubChem CID9067653
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
SMILESCCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C22H26N2O5/c1-3-16-7-4-5-8-19(16)24-20(25)9-6-10-22(27)29-15-21(26)23-17-11-13-18(28-2)14-12-17/h4-5,7-8,11-14H,3,6,9-10,15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyIASFNNZDQFRTIP-UHFFFAOYSA-N
XLogP3.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067652
[2-(4-fluoroanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 17259335
[2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate
CID 17258700
2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027158
[2-(4-methoxyanilino)-2-oxoethyl] propanoate
CID 7851370
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
2-methylpropyl 4-[[4-[2-(2-ethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 17087333
[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067637
[2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
CID 17388477
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147366
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate (CID 9067653) is [2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate is CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate?
The InChIKey is IASFNNZDQFRTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-16-7-4-5-8-19(16)24-20(25)9-6-10-22(27)29-15-21(26)23-17-11-13-18(28-2)14-12-17/h4-5,7-8,11-14H,3,6,9-10,15H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate?
[2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate has a molecular weight of 398.46 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate is sourced from PubChem (CID 9067653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).