[1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate

C20H23NO5 — CID 3522399

IUPAC[1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
SMILESCCc1ccc(NC(=O)C(C)OC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H23NO5/c1-5-14-6-8-16(9-7-14)21-19(22)13(2)26-20(23)15-10-17(24-3)12-18(11-15)25-4/h6-13H,5H2,1-4H3,(H,21,22)
InChIKeyHGNAIEGNPNUCON-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.45
Rot. Bonds7

About [1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate

[1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate (PubChem CID 3522399) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
PubChem CID3522399
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
SMILESCCc1ccc(NC(=O)C(C)OC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H23NO5/c1-5-14-6-8-16(9-7-14)21-19(22)13(2)26-20(23)15-10-17(24-3)12-18(11-15)25-4/h6-13H,5H2,1-4H3,(H,21,22)
InChIKeyHGNAIEGNPNUCON-UHFFFAOYSA-N
XLogP3.45
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 2365218
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 7709476
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884047
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7796753
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7697782
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate
CID 7701223
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416046
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 7793879
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 43015349
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7775657
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3,5-dimethoxybenzoate
CID 8528312
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8985418

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate?
The IUPAC name of [1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate (CID 3522399) is [1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate?
The canonical SMILES for [1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate is CCc1ccc(NC(=O)C(C)OC(=O)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of [1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate?
The InChIKey is HGNAIEGNPNUCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-5-14-6-8-16(9-7-14)21-19(22)13(2)26-20(23)15-10-17(24-3)12-18(11-15)25-4/h6-13H,5H2,1-4H3,(H,21,22).
What are the key properties of [1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate?
[1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 3522399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).