N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide

C19H22N2O4 — CID 134057921

IUPACN-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide
SMILESCCN(C)C(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C19H22N2O4/c1-4-21(2)19(23)14-8-10-16(11-9-14)25-13-18(22)20-15-6-5-7-17(12-15)24-3/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyZUWGGNUYXMZVSV-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.80
Rot. Bonds7

About N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide

N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide (PubChem CID 134057921) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide
PubChem CID134057921
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide
SMILESCCN(C)C(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C19H22N2O4/c1-4-21(2)19(23)14-8-10-16(11-9-14)25-13-18(22)20-15-6-5-7-17(12-15)24-3/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyZUWGGNUYXMZVSV-UHFFFAOYSA-N
XLogP2.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide?
The IUPAC name of N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide (CID 134057921) is N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide.
What is the SMILES notation for N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide?
The canonical SMILES for N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide is CCN(C)C(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide?
The InChIKey is ZUWGGNUYXMZVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-21(2)19(23)14-8-10-16(11-9-14)25-13-18(22)20-15-6-5-7-17(12-15)24-3/h5-12H,4,13H2,1-3H3,(H,20,22).
What are the key properties of N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide?
N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide has a molecular weight of 342.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-methylbenzamide is sourced from PubChem (CID 134057921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).