4-((5-(4-Amidinophenoxy)pentyl)oxy)benzenecarboxamide
Basic information
- CAS
155914-97-9- Standard SMILES
N=C(N)c1ccc(OCCCCCOc2ccc(C(N)=O)cc2)cc1- InChIKey
JUXMLCDTXKRLHV-UHFFFAOYSA-N- Molecular formula
- C19H23N3O3
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.1739416
Names & identifiers
- Preferred name
- 4-((5-(4-Amidinophenoxy)pentyl)oxy)benzenecarboxamide
- IUPAC
- 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamide
Names & synonyms
374JCT74Q3155914-97-94-((5-(4-Amidinophenoxy)pentyl)oxy)benzenecarboxamideUNII-374JCT74Q34-((5-(4-Carbamimidoylphenoxy)pentyl)oxy)benzamide4-((5-(4-(Aminoiminomethyl)phenoxy)pentyl)oxy)benzamideBenzamide, 4-((5-(4-(aminoiminomethyl)phenoxy)pentyl)oxy)-Pentamidine diisetionate impurity A [EP]SCHEMBL13930660Pentamidine Diisetionate EP Impurity APENTAMIDINE DIISETIONATE IMPURITY A [EP IMPURITY]
Database identifiers
- CAS
155914-97-9- PubChem CID
- 13656263
- UNII
- 374JCT74Q3
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
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Compound notes
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