[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate

C21H24N2O4 — CID 9067637

IUPAC[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
SMILESCCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H24N2O4/c1-3-16-8-4-5-10-18(16)23-19(24)11-12-21(26)27-14-20(25)22-17-9-6-7-15(2)13-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKMPFVLSLTSQSTQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.46
Rot. Bonds8

About [2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate

[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate (PubChem CID 9067637) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
PubChem CID9067637
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
SMILESCCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H24N2O4/c1-3-16-8-4-5-10-18(16)23-19(24)11-12-21(26)27-14-20(25)22-17-9-6-7-15(2)13-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKMPFVLSLTSQSTQ-UHFFFAOYSA-N
XLogP3.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067633
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(3-methylanilino)-4-oxobutanoate
CID 17261039
[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067652
[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199226
[2-(3-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7523992
[2-(3-methylanilino)-2-oxoethyl] 4-methylpentanoate
CID 84603861
2-methylpropyl 4-[[4-[2-(2-ethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 17087333
[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-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997857
[2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate
CID 17258700

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate (CID 9067637) is [2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate is CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate?
The InChIKey is KMPFVLSLTSQSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-16-8-4-5-10-18(16)23-19(24)11-12-21(26)27-14-20(25)22-17-9-6-7-15(2)13-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate?
[2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate has a molecular weight of 368.43 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate is sourced from PubChem (CID 9067637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).