N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide

C22H23N3O2 — CID 112988677

IUPACN-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)COc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23N3O2/c1-25(2)20-14-12-18(13-15-20)23-17-8-10-19(11-9-17)24-22(26)16-27-21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3,(H,24,26)
InChIKeyAZANDMYEWNLKQE-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.51
Rot. Bonds7

About N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide

N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide (PubChem CID 112988677) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide
PubChem CID112988677
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)COc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23N3O2/c1-25(2)20-14-12-18(13-15-20)23-17-8-10-19(11-9-17)24-22(26)16-27-21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3,(H,24,26)
InChIKeyAZANDMYEWNLKQE-UHFFFAOYSA-N
XLogP4.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515
N-[4-(dimethylamino)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2327581
N-[4-(2-methoxyanilino)phenyl]-2-phenoxyacetamide
CID 112987353
2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 166371906
2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
CID 1329079
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide (CID 112988677) is N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide is CN(C)c1ccc(Nc2ccc(NC(=O)COc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide?
The InChIKey is AZANDMYEWNLKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25(2)20-14-12-18(13-15-20)23-17-8-10-19(11-9-17)24-22(26)16-27-21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide?
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide has a molecular weight of 361.45 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 112988677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).