3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide

C19H22N2O3 — CID 33203040

IUPAC3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
SMILESCCc1cccc(OCC(=O)NCc2cccc(C(=O)NC)c2)c1
InChIInChI=1S/C19H22N2O3/c1-3-14-6-5-9-17(11-14)24-13-18(22)21-12-15-7-4-8-16(10-15)19(23)20-2/h4-11H,3,12-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyQLSARNXXOUSOIJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.30
Rot. Bonds7

About 3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide

3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide (PubChem CID 33203040) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
PubChem CID33203040
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
SMILESCCc1cccc(OCC(=O)NCc2cccc(C(=O)NC)c2)c1
InChIInChI=1S/C19H22N2O3/c1-3-14-6-5-9-17(11-14)24-13-18(22)21-12-15-7-4-8-16(10-15)19(23)20-2/h4-11H,3,12-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyQLSARNXXOUSOIJ-UHFFFAOYSA-N
XLogP2.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide
CID 91828637
3-[[2-(3-ethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 31524865
3-ethyl-N-methylbenzamide
CID 59115297
2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385571
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide (CID 33203040) is 3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide is CCc1cccc(OCC(=O)NCc2cccc(C(=O)NC)c2)c1.
What is the InChIKey of 3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide?
The InChIKey is QLSARNXXOUSOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-14-6-5-9-17(11-14)24-13-18(22)21-12-15-7-4-8-16(10-15)19(23)20-2/h4-11H,3,12-13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide?
3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 33203040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).