[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate

C21H23NO5 — CID 8019701

IUPAC[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate
SMILESCCOc1ccc(Oc2ccc(NC(=O)COC(=O)C3CCC3)cc2)cc1
InChIInChI=1S/C21H23NO5/c1-2-25-17-10-12-19(13-11-17)27-18-8-6-16(7-9-18)22-20(23)14-26-21(24)15-4-3-5-15/h6-13,15H,2-5,14H2,1H3,(H,22,23)
InChIKeyFKPJMTPNFKVDSH-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.16
Rot. Bonds8

About [2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate

[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 8019701) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID8019701
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate
SMILESCCOc1ccc(Oc2ccc(NC(=O)COC(=O)C3CCC3)cc2)cc1
InChIInChI=1S/C21H23NO5/c1-2-25-17-10-12-19(13-11-17)27-18-8-6-16(7-9-18)22-20(23)14-26-21(24)15-4-3-5-15/h6-13,15H,2-5,14H2,1H3,(H,22,23)
InChIKeyFKPJMTPNFKVDSH-UHFFFAOYSA-N
XLogP4.16
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717429
[2-(4-iodoanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717400
methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate
CID 8019672
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
ethyl 1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931548
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672077
[2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate
CID 55818110
1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8530759
[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 3621562
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950221
(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 25444668
ethyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate
CID 701838

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate (CID 8019701) is [2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate is CCOc1ccc(Oc2ccc(NC(=O)COC(=O)C3CCC3)cc2)cc1.
What is the InChIKey of [2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is FKPJMTPNFKVDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-2-25-17-10-12-19(13-11-17)27-18-8-6-16(7-9-18)22-20(23)14-26-21(24)15-4-3-5-15/h6-13,15H,2-5,14H2,1H3,(H,22,23).
What are the key properties of [2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate?
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 369.42 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 8019701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).