N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide

C22H21N3O3 — CID 54812613

IUPACN-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H21N3O3/c1-16(26)24-18-6-5-7-19(14-18)25-22(27)15-23-17-10-12-21(13-11-17)28-20-8-3-2-4-9-20/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyHPUYWVHAWDKDQE-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.49
Rot. Bonds7

About N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide

N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide (PubChem CID 54812613) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
PubChem CID54812613
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H21N3O3/c1-16(26)24-18-6-5-7-19(14-18)25-22(27)15-23-17-10-12-21(13-11-17)28-20-8-3-2-4-9-20/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyHPUYWVHAWDKDQE-UHFFFAOYSA-N
XLogP4.49
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(4-phenoxyanilino)acetamide
CID 109009860
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
N-(3-acetamidophenyl)-2-(4-propoxyanilino)acetamide
CID 54822822
N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821414
2-(3-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 9098919
N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825386
N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812285
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)acetamide
CID 39912338
2-(3-acetamidoanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54831803
N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide
CID 109010719

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide (CID 54812613) is N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide is CC(=O)Nc1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide?
The InChIKey is HPUYWVHAWDKDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-16(26)24-18-6-5-7-19(14-18)25-22(27)15-23-17-10-12-21(13-11-17)28-20-8-3-2-4-9-20/h2-14,23H,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide?
N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide has a molecular weight of 375.43 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide is sourced from PubChem (CID 54812613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).