3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide

C23H23N3O3 — CID 55783941

IUPAC3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(OCC(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1C
InChIInChI=1S/C23H23N3O3/c1-16-9-10-21(12-17(16)2)29-15-22(27)26-19-8-5-6-18(13-19)23(28)25-14-20-7-3-4-11-24-20/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWITMUQKGLGHAOY-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.65
Rot. Bonds7

About 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide

3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 55783941) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID55783941
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(OCC(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1C
InChIInChI=1S/C23H23N3O3/c1-16-9-10-21(12-17(16)2)29-15-22(27)26-19-8-5-6-18(13-19)23(28)25-14-20-7-3-4-11-24-20/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWITMUQKGLGHAOY-UHFFFAOYSA-N
XLogP3.65
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide
CID 101015453
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202307
2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 40628702
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide
CID 55783677
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651
3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 60617260

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide (CID 55783941) is 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide is Cc1ccc(OCC(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1C.
What is the InChIKey of 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is WITMUQKGLGHAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-9-10-21(12-17(16)2)29-15-22(27)26-19-8-5-6-18(13-19)23(28)25-14-20-7-3-4-11-24-20/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide?
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 55783941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).