[2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate

C23H28N2O4 — CID 17258700

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-3-17-10-8-11-18(4-2)23(17)25-21(27)16-29-22(28)15-9-14-20(26)24-19-12-6-5-7-13-19/h5-8,10-13H,3-4,9,14-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyIPFPYPTXHVOKCL-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.10
Rot. Bonds10

About [2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate

[2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate (PubChem CID 17258700) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate
PubChem CID17258700
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1
InChIInChI=1S/C23H28N2O4/c1-3-17-10-8-11-18(4-2)23(17)25-21(27)16-29-22(28)15-9-14-20(26)24-19-12-6-5-7-13-19/h5-8,10-13H,3-4,9,14-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyIPFPYPTXHVOKCL-UHFFFAOYSA-N
XLogP4.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067653
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-anilino-5-oxopentanoate
CID 17259133
[2-oxo-2-(4-phenylanilino)ethyl] pentanoate
CID 2628922
[2-(2,6-diethylanilino)-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate
CID 9062972
[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067637
(2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate
CID 7147829
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 1191215
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847332

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate (CID 17258700) is [2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate is CCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate?
The InChIKey is IPFPYPTXHVOKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-17-10-8-11-18(4-2)23(17)25-21(27)16-29-22(28)15-9-14-20(26)24-19-12-6-5-7-13-19/h5-8,10-13H,3-4,9,14-16H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate?
[2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate has a molecular weight of 396.49 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate is sourced from PubChem (CID 17258700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).