2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide

C22H21N3O3 — CID 113163707

IUPAC2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1cccnc1
InChIInChI=1S/C22H21N3O3/c1-17(26)25(15-18-6-5-13-23-14-18)16-22(27)24-19-9-11-21(12-10-19)28-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyAENXEUWMGFJVIG-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.86
Rot. Bonds7

About 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide

2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 113163707) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide
PubChem CID113163707
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1cccnc1
InChIInChI=1S/C22H21N3O3/c1-17(26)25(15-18-6-5-13-23-14-18)16-22(27)24-19-9-11-21(12-10-19)28-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyAENXEUWMGFJVIG-UHFFFAOYSA-N
XLogP3.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 113163640
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113163672
2-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113163705
2-[acetyl(benzyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113161293
2-[acetyl(benzyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113161318
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide
CID 113163650
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
CID 113163737
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113120489
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113163658
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide (CID 113163707) is 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1cccnc1.
What is the InChIKey of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is AENXEUWMGFJVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-17(26)25(15-18-6-5-13-23-14-18)16-22(27)24-19-9-11-21(12-10-19)28-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,24,27).
What are the key properties of 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide?
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 113163707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).