4-(4-aminobutylamino)benzamide

C11H17N3O — CID 117097342

IUPAC4-(4-aminobutylamino)benzamide
SMILESNCCCCNc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H17N3O/c12-7-1-2-8-14-10-5-3-9(4-6-10)11(13)15/h3-6,14H,1-2,7-8,12H2,(H2,13,15)
InChIKeyZXGZSQTYDSZJMX-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.94
Rot. Bonds6

About 4-(4-aminobutylamino)benzamide

4-(4-aminobutylamino)benzamide (PubChem CID 117097342) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(4-aminobutylamino)benzamide.

Molecular Properties

Compound Name4-(4-aminobutylamino)benzamide
PubChem CID117097342
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(4-aminobutylamino)benzamide
SMILESNCCCCNc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H17N3O/c12-7-1-2-8-14-10-5-3-9(4-6-10)11(13)15/h3-6,14H,1-2,7-8,12H2,(H2,13,15)
InChIKeyZXGZSQTYDSZJMX-UHFFFAOYSA-N
XLogP0.94
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-aminobutylamino)benzamide 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

4-(4-methylsulfanylbutylamino)benzamide
CID 103087176
4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide
CID 77025709
[4-(4-aminobutylamino)phenyl]methanol
CID 83962271
N'-phenylheptane-1,7-diamine
CID 61149618
4-(6-aminohexanoylamino)benzamide
CID 24702559
ethyl 4-(4-carbamoylanilino)butanoate
CID 60679098
4-(3-phenoxypropylamino)benzamide
CID 60678988
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
CID 154348827
4-(4-aminobutylamino)-3-nitrobenzamide
CID 60894350
4-[8-(4-chloroanilino)octylamino]benzoic acid
CID 57083445

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutylamino)benzamide?
The IUPAC name of 4-(4-aminobutylamino)benzamide (CID 117097342) is 4-(4-aminobutylamino)benzamide.
What is the SMILES notation for 4-(4-aminobutylamino)benzamide?
The canonical SMILES for 4-(4-aminobutylamino)benzamide is NCCCCNc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(4-aminobutylamino)benzamide?
The InChIKey is ZXGZSQTYDSZJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-7-1-2-8-14-10-5-3-9(4-6-10)11(13)15/h3-6,14H,1-2,7-8,12H2,(H2,13,15).
What are the key properties of 4-(4-aminobutylamino)benzamide?
4-(4-aminobutylamino)benzamide has a molecular weight of 207.28 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutylamino)benzamide is sourced from PubChem (CID 117097342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).