[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate

C15H19NO4 — CID 7717429

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)C2CCC2)cc1
InChIInChI=1S/C15H19NO4/c1-2-19-13-8-6-12(7-9-13)16-14(17)10-20-15(18)11-4-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,16,17)
InChIKeyPRBAUXNMXNSPFF-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.37
Rot. Bonds6

About [2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate

[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 7717429) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
PubChem CID7717429
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)C2CCC2)cc1
InChIInChI=1S/C15H19NO4/c1-2-19-13-8-6-12(7-9-13)16-14(17)10-20-15(18)11-4-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,16,17)
InChIKeyPRBAUXNMXNSPFF-UHFFFAOYSA-N
XLogP2.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019701
[2-(4-iodoanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717400
methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate
CID 8019672
ethyl 1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931548
[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 3621562
ethyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate
CID 701838
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
[2-(4-nitroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020396
[2-(4-ethoxyanilino)-2-oxoethyl] 1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6494155
[2-(4-ethoxyanilino)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 7729169
2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate (CID 7717429) is [2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate is CCOc1ccc(NC(=O)COC(=O)C2CCC2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is PRBAUXNMXNSPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-13-8-6-12(7-9-13)16-14(17)10-20-15(18)11-4-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,16,17).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate?
[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 7717429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).