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

C15H25N3O2 — CID 80739849

IUPAC2-(3-amino-N-butyl-5-propoxyanilino)acetamide
SMILESCCCCN(CC(N)=O)c1cc(N)cc(OCCC)c1
InChIInChI=1S/C15H25N3O2/c1-3-5-6-18(11-15(17)19)13-8-12(16)9-14(10-13)20-7-4-2/h8-10H,3-7,11,16H2,1-2H3,(H2,17,19)
InChIKeyFHUVJVPZDKCFOU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.15
Rot. Bonds9

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

2-(3-amino-N-butyl-5-propoxyanilino)acetamide (PubChem CID 80739849) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3-amino-N-butyl-5-propoxyanilino)acetamide.

Molecular Properties

Compound Name2-(3-amino-N-butyl-5-propoxyanilino)acetamide
PubChem CID80739849
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(3-amino-N-butyl-5-propoxyanilino)acetamide
SMILESCCCCN(CC(N)=O)c1cc(N)cc(OCCC)c1
InChIInChI=1S/C15H25N3O2/c1-3-5-6-18(11-15(17)19)13-8-12(16)9-14(10-13)20-7-4-2/h8-10H,3-7,11,16H2,1-2H3,(H2,17,19)
InChIKeyFHUVJVPZDKCFOU-UHFFFAOYSA-N
XLogP2.15
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.15
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-propoxyanilino)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

2-(3-amino-N-butyl-5-ethoxyanilino)acetamide
CID 80738963
3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine
CID 80722097
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 102991192
2-(3-amino-N-ethyl-5-propoxyanilino)ethanol
CID 80731305
2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide
CID 80739279
3-N-butan-2-yl-3-N-butyl-5-propoxybenzene-1,3-diamine
CID 80738961
3-N,3-N-bis(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80730638
3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80722610
2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478314
3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80739720
2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide
CID 80739194
2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-butyl-5-propoxyanilino)acetamide?
The IUPAC name of 2-(3-amino-N-butyl-5-propoxyanilino)acetamide (CID 80739849) is 2-(3-amino-N-butyl-5-propoxyanilino)acetamide.
What is the SMILES notation for 2-(3-amino-N-butyl-5-propoxyanilino)acetamide?
The canonical SMILES for 2-(3-amino-N-butyl-5-propoxyanilino)acetamide is CCCCN(CC(N)=O)c1cc(N)cc(OCCC)c1.
What is the InChIKey of 2-(3-amino-N-butyl-5-propoxyanilino)acetamide?
The InChIKey is FHUVJVPZDKCFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-5-6-18(11-15(17)19)13-8-12(16)9-14(10-13)20-7-4-2/h8-10H,3-7,11,16H2,1-2H3,(H2,17,19).
What are the key properties of 2-(3-amino-N-butyl-5-propoxyanilino)acetamide?
2-(3-amino-N-butyl-5-propoxyanilino)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.15, 9 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-propoxyanilino)acetamide is sourced from PubChem (CID 80739849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).