N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide

C16H18N4O2 — CID 175190736

IUPACN-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(N)c2)c(NC(C)=O)c1N
InChIInChI=1S/C16H18N4O2/c1-9(21)19-14-7-6-13(11-4-3-5-12(17)8-11)16(15(14)18)20-10(2)22/h3-8H,17-18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQDGOSKPTJPJGNV-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.43
Rot. Bonds3

About N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide

N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide (PubChem CID 175190736) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide
PubChem CID175190736
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(N)c2)c(NC(C)=O)c1N
InChIInChI=1S/C16H18N4O2/c1-9(21)19-14-7-6-13(11-4-3-5-12(17)8-11)16(15(14)18)20-10(2)22/h3-8H,17-18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQDGOSKPTJPJGNV-UHFFFAOYSA-N
XLogP2.43
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide?
The IUPAC name of N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide (CID 175190736) is N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(N)c2)c(NC(C)=O)c1N.
What is the InChIKey of N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide?
The InChIKey is QDGOSKPTJPJGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-9(21)19-14-7-6-13(11-4-3-5-12(17)8-11)16(15(14)18)20-10(2)22/h3-8H,17-18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide?
N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide has a molecular weight of 298.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-2-amino-4-(3-aminophenyl)phenyl]acetamide is sourced from PubChem (CID 175190736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).