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

C22H23N3O — CID 112988673

IUPACN-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23N3O/c1-25(2)21-14-12-19(13-15-21)23-18-8-10-20(11-9-18)24-22(26)16-17-6-4-3-5-7-17/h3-15,23H,16H2,1-2H3,(H,24,26)
InChIKeyWIQJLMBUCSWWNY-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.68
Rot. Bonds6

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

N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide (PubChem CID 112988673) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
PubChem CID112988673
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23N3O/c1-25(2)21-14-12-19(13-15-21)23-18-8-10-20(11-9-18)24-22(26)16-17-6-4-3-5-7-17/h3-15,23H,16H2,1-2H3,(H,24,26)
InChIKeyWIQJLMBUCSWWNY-UHFFFAOYSA-N
XLogP4.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide
CID 113035518
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide
CID 112988677
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769236
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium
CID 2443760

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide (CID 112988673) is N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide is CN(C)c1ccc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide?
The InChIKey is WIQJLMBUCSWWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-25(2)21-14-12-19(13-15-21)23-18-8-10-20(11-9-18)24-22(26)16-17-6-4-3-5-7-17/h3-15,23H,16H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide?
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide has a molecular weight of 345.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 112988673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).