2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide

C22H23N3O2 — CID 166371906

IUPAC2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide
SMILESCNCc1ccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23N3O2/c1-23-15-17-7-9-20(10-8-17)25-22(26)16-27-21-13-11-19(12-14-21)24-18-5-3-2-4-6-18/h2-14,23-24H,15-16H2,1H3,(H,25,26)
InChIKeyWGQJJHZHTKWGEV-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.17
Rot. Bonds8

About 2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide

2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide (PubChem CID 166371906) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide
PubChem CID166371906
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide
SMILESCNCc1ccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23N3O2/c1-23-15-17-7-9-20(10-8-17)25-22(26)16-27-21-13-11-19(12-14-21)24-18-5-3-2-4-6-18/h2-14,23-24H,15-16H2,1H3,(H,25,26)
InChIKeyWGQJJHZHTKWGEV-UHFFFAOYSA-N
XLogP4.17
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982725
N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093194
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide
CID 112988677
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 4942027
N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982593
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide?
The IUPAC name of 2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide (CID 166371906) is 2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide is CNCc1ccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide?
The InChIKey is WGQJJHZHTKWGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-23-15-17-7-9-20(10-8-17)25-22(26)16-27-21-13-11-19(12-14-21)24-18-5-3-2-4-6-18/h2-14,23-24H,15-16H2,1H3,(H,25,26).
What are the key properties of 2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide?
2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide is sourced from PubChem (CID 166371906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).