2-(3-amino-N-butyl-5-ethoxyanilino)acetamide

C14H23N3O2 — CID 80738963

IUPAC2-(3-amino-N-butyl-5-ethoxyanilino)acetamide
SMILESCCCCN(CC(N)=O)c1cc(N)cc(OCC)c1
InChIInChI=1S/C14H23N3O2/c1-3-5-6-17(10-14(16)18)12-7-11(15)8-13(9-12)19-4-2/h7-9H,3-6,10,15H2,1-2H3,(H2,16,18)
InChIKeySQLCXTRAOXCFCI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.76
Rot. Bonds8

About 2-(3-amino-N-butyl-5-ethoxyanilino)acetamide

2-(3-amino-N-butyl-5-ethoxyanilino)acetamide (PubChem CID 80738963) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3-amino-N-butyl-5-ethoxyanilino)acetamide.

Molecular Properties

Compound Name2-(3-amino-N-butyl-5-ethoxyanilino)acetamide
PubChem CID80738963
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(3-amino-N-butyl-5-ethoxyanilino)acetamide
SMILESCCCCN(CC(N)=O)c1cc(N)cc(OCC)c1
InChIInChI=1S/C14H23N3O2/c1-3-5-6-17(10-14(16)18)12-7-11(15)8-13(9-12)19-4-2/h7-9H,3-6,10,15H2,1-2H3,(H2,16,18)
InChIKeySQLCXTRAOXCFCI-UHFFFAOYSA-N
XLogP1.76
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-amino-N-butyl-5-ethoxyanilino)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 2-(3-amino-N-butyl-5-ethoxyanilino)acetamide?
The IUPAC name of 2-(3-amino-N-butyl-5-ethoxyanilino)acetamide (CID 80738963) is 2-(3-amino-N-butyl-5-ethoxyanilino)acetamide.
What is the SMILES notation for 2-(3-amino-N-butyl-5-ethoxyanilino)acetamide?
The canonical SMILES for 2-(3-amino-N-butyl-5-ethoxyanilino)acetamide is CCCCN(CC(N)=O)c1cc(N)cc(OCC)c1.
What is the InChIKey of 2-(3-amino-N-butyl-5-ethoxyanilino)acetamide?
The InChIKey is SQLCXTRAOXCFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-6-17(10-14(16)18)12-7-11(15)8-13(9-12)19-4-2/h7-9H,3-6,10,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-(3-amino-N-butyl-5-ethoxyanilino)acetamide?
2-(3-amino-N-butyl-5-ethoxyanilino)acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-butyl-5-ethoxyanilino)acetamide is sourced from PubChem (CID 80738963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).