2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide

C22H21N3O3 — CID 113179220

IUPAC2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1cccnc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H21N3O3/c1-17(26)25(16-22(27)24-15-18-8-7-13-23-14-18)20-11-5-6-12-21(20)28-19-9-3-2-4-10-19/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyVGKBKUHZVXQETI-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.54
Rot. Bonds7

About 2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 113179220) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID113179220
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1cccnc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H21N3O3/c1-17(26)25(16-22(27)24-15-18-8-7-13-23-14-18)20-11-5-6-12-21(20)28-19-9-3-2-4-10-19/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyVGKBKUHZVXQETI-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113179217
2-(N-acetyl-2-phenoxyanilino)-N-phenylacetamide
CID 113179233
2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide
CID 113179224
2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113173139
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide
CID 113179357
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1075723
2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169052
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 126413663
2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113160421

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 113179220) is 2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1cccnc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is VGKBKUHZVXQETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-17(26)25(16-22(27)24-15-18-8-7-13-23-14-18)20-11-5-6-12-21(20)28-19-9-3-2-4-10-19/h2-14H,15-16H2,1H3,(H,24,27).
What are the key properties of 2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 113179220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).