N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide

C16H15N3O2 — CID 43376508

IUPACN-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C#N)cc2)c(N)c1
InChIInChI=1S/C16H15N3O2/c1-11-2-7-15(14(18)8-11)19-16(20)10-21-13-5-3-12(9-17)4-6-13/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyZADQXQUJNIFLQQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.47
Rot. Bonds4

About N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide

N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide (PubChem CID 43376508) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide
PubChem CID43376508
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(C#N)cc2)c(N)c1
InChIInChI=1S/C16H15N3O2/c1-11-2-7-15(14(18)8-11)19-16(20)10-21-13-5-3-12(9-17)4-6-13/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyZADQXQUJNIFLQQ-UHFFFAOYSA-N
XLogP2.47
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide 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-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
CID 29050645
2-(4-cyanophenoxy)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 55889578
N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63880194
N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 43376506
2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 7964016
2-(4-cyanophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 7961641
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 134019347
2-(4-aminophenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 61094742
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide (CID 43376508) is N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccc(C#N)cc2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide?
The InChIKey is ZADQXQUJNIFLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-2-7-15(14(18)8-11)19-16(20)10-21-13-5-3-12(9-17)4-6-13/h2-8H,10,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide?
N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 43376508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).