N'-[4-(4-phenoxyphenyl)anilino]propanimidamide

C21H21N3O — CID 143156332

IUPACN'-[4-(4-phenoxyphenyl)anilino]propanimidamide
SMILESCC/C(N)=N\Nc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H21N3O/c1-2-21(22)24-23-18-12-8-16(9-13-18)17-10-14-20(15-11-17)25-19-6-4-3-5-7-19/h3-15,23H,2H2,1H3,(H2,22,24)
InChIKeyVJXFVDWELBYQAM-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.24
Rot. Bonds6

About N'-[4-(4-phenoxyphenyl)anilino]propanimidamide

N'-[4-(4-phenoxyphenyl)anilino]propanimidamide (PubChem CID 143156332) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N'-[4-(4-phenoxyphenyl)anilino]propanimidamide.

Molecular Properties

Compound NameN'-[4-(4-phenoxyphenyl)anilino]propanimidamide
PubChem CID143156332
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN'-[4-(4-phenoxyphenyl)anilino]propanimidamide
SMILESCC/C(N)=N\Nc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H21N3O/c1-2-21(22)24-23-18-12-8-16(9-13-18)17-10-14-20(15-11-17)25-19-6-4-3-5-7-19/h3-15,23H,2H2,1H3,(H2,22,24)
InChIKeyVJXFVDWELBYQAM-UHFFFAOYSA-N
XLogP5.24
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4-(4-phenoxyphenyl)anilino]propanimidamide 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

2-fluoro-N'-(4-methoxyanilino)ethanimidamide
CID 141071523
N'-hydroxy-3-(4-phenoxyanilino)propanimidamide
CID 77026681
N'-(4-phenylphenyl)propanimidamide
CID 63178783
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
2-tert-butyl-1-(4-phenoxyphenyl)guanidine
CID 62379783
2-[(4-phenoxyphenyl)carbamoylamino]acetamide
CID 54573281
ethane;phenoxybenzene;propane
CID 90923491
N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
CID 113049889
S-methyl N-[4-(4-phenylphenoxy)phenyl]carbamothioate
CID 71413210
N-butyl-4-phenoxyaniline
CID 4712110
N-(2,2-dimethylbutyl)-4-phenoxyaniline
CID 168720380
5-(4-phenoxyphenyl)pyrimidine;propane
CID 153341834

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-phenoxyphenyl)anilino]propanimidamide?
The IUPAC name of N'-[4-(4-phenoxyphenyl)anilino]propanimidamide (CID 143156332) is N'-[4-(4-phenoxyphenyl)anilino]propanimidamide.
What is the SMILES notation for N'-[4-(4-phenoxyphenyl)anilino]propanimidamide?
The canonical SMILES for N'-[4-(4-phenoxyphenyl)anilino]propanimidamide is CC/C(N)=N\Nc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N'-[4-(4-phenoxyphenyl)anilino]propanimidamide?
The InChIKey is VJXFVDWELBYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-21(22)24-23-18-12-8-16(9-13-18)17-10-14-20(15-11-17)25-19-6-4-3-5-7-19/h3-15,23H,2H2,1H3,(H2,22,24).
What are the key properties of N'-[4-(4-phenoxyphenyl)anilino]propanimidamide?
N'-[4-(4-phenoxyphenyl)anilino]propanimidamide has a molecular weight of 331.42 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-phenoxyphenyl)anilino]propanimidamide is sourced from PubChem (CID 143156332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).