ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate

C15H21NO3 — CID 60737731

IUPACethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H21NO3/c1-4-16(13-8-6-7-12(3)11-13)14(17)9-10-15(18)19-5-2/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeySSFQPVUGXNJDIY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.69
Rot. Bonds6

About ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate

ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate (PubChem CID 60737731) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
PubChem CID60737731
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H21NO3/c1-4-16(13-8-6-7-12(3)11-13)14(17)9-10-15(18)19-5-2/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeySSFQPVUGXNJDIY-UHFFFAOYSA-N
XLogP2.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
ethyl 4-[N-(cyanomethyl)-3-methylanilino]-4-oxobutanoate
CID 19439354
N-ethyl-N-(3-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295025
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
3-(N-ethyl-3-methylanilino)-3-oxopropane-1-sulfonyl chloride
CID 98489365
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate?
The IUPAC name of ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate (CID 60737731) is ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC)c1cccc(C)c1.
What is the InChIKey of ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate?
The InChIKey is SSFQPVUGXNJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-16(13-8-6-7-12(3)11-13)14(17)9-10-15(18)19-5-2/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate?
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate has a molecular weight of 263.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate is sourced from PubChem (CID 60737731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).