1-((4-(4-(3-Aminopropoxy)benzoyl)phenyl)amino)-3,6,9,12-tetraoxapentadecan-15-oic acid
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Basic information
- Standard SMILES
NCCCOc1ccc(C(=O)c2ccc(NCCOCCOCCOCCOCCC(=O)O)cc2)cc1- InChIKey
SMBTYNWJMOCGEG-UHFFFAOYSA-N- Molecular formula
- C27H38N2O8
- Average molar mass
- 518.6 g/mol
Names & identifiers
- Preferred name
- 1-((4-(4-(3-Aminopropoxy)benzoyl)phenyl)amino)-3,6,9,12-tetraoxapentadecan-15-oic acid
- IUPAC
- 3-[2-[2-[2-[2-[4-[4-(3-aminopropoxy)benzoyl]anilino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Names & synonyms
SCHEMBL16040812SMBTYNWJMOCGEG-UHFFFAOYSA-N1-((4-(4-(3-aminopropoxy)benzoyl)phenyl)amino)-3,6,9,12-tetraoxapentadecan-15-oic acid
Database identifiers
- PubChem CID
- 90412331
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 22
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 593
Related reactions
1 records
Compound notes
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