[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

C22H27NO5 — CID 30388748

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2CC)cc1OCC
InChIInChI=1S/C22H27NO5/c1-4-13-27-19-12-11-17(14-20(19)26-6-3)22(25)28-15-21(24)23-18-10-8-7-9-16(18)5-2/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,24)
InChIKeyNBPRUFYNVIJFHO-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.23
Rot. Bonds10

About [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (PubChem CID 30388748) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
PubChem CID30388748
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2CC)cc1OCC
InChIInChI=1S/C22H27NO5/c1-4-13-27-19-12-11-17(14-20(19)26-6-3)22(25)28-15-21(24)23-18-10-8-7-9-16(18)5-2/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,24)
InChIKeyNBPRUFYNVIJFHO-UHFFFAOYSA-N
XLogP4.23
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558698
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316134
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8572691
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-butoxy-3-ethoxybenzoate
CID 29242975
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556805
N-(2-ethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7750885
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42971508
[2-(3,5-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42371527
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 7904220
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2397865
[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
CID 8537066

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (CID 30388748) is [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2CC)cc1OCC.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The InChIKey is NBPRUFYNVIJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-4-13-27-19-12-11-17(14-20(19)26-6-3)22(25)28-15-21(24)23-18-10-8-7-9-16(18)5-2/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,24).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate has a molecular weight of 385.46 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is sourced from PubChem (CID 30388748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).