[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate

C19H22N2O5 — CID 2503619

IUPAC[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)c1OC
InChIInChI=1S/C19H22N2O5/c1-21(2)14-10-8-13(9-11-14)20-17(22)12-26-19(23)15-6-5-7-16(24-3)18(15)25-4/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyLAKHSWDOFWLCHP-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.57
Rot. Bonds7

About [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate (PubChem CID 2503619) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
PubChem CID2503619
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)c1OC
InChIInChI=1S/C19H22N2O5/c1-21(2)14-10-8-13(9-11-14)20-17(22)12-26-19(23)15-6-5-7-16(24-3)18(15)25-4/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyLAKHSWDOFWLCHP-UHFFFAOYSA-N
XLogP2.57
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503626
[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503755
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 8872111
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503716
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2504998
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 7726160
[2-(4-methoxyanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522313
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,3-dimethoxybenzoate
CID 42962825
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7149734
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510879
[3-(2,3-dimethoxybenzoyl)oxy-2-oxopropyl] 2,3-dimethoxybenzoate
CID 3910896
[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075546

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate?
The IUPAC name of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate (CID 2503619) is [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate.
What is the SMILES notation for [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate?
The canonical SMILES for [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate is COc1cccc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)c1OC.
What is the InChIKey of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate?
The InChIKey is LAKHSWDOFWLCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-21(2)14-10-8-13(9-11-14)20-17(22)12-26-19(23)15-6-5-7-16(24-3)18(15)25-4/h5-11H,12H2,1-4H3,(H,20,22).
What are the key properties of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate?
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate has a molecular weight of 358.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate is sourced from PubChem (CID 2503619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).