2-[[2-Methyl-4-((3-hydroxypropyloxy)carbonylamino)phenyl]amino]-1-pyrroline, hydrochloride
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Basic information
- Standard SMILES
Cc1cc(NC(=O)OCCCO)ccc1NC1=NCCC1.Cl- InChIKey
HVUNDCVIRDWOLB-UHFFFAOYSA-N- Molecular formula
- C15H22ClN3O3
- Average molar mass
- 327.8 g/mol
Names & identifiers
- Preferred name
- 2-[[2-Methyl-4-((3-hydroxypropyloxy)carbonylamino)phenyl]amino]-1-pyrroline, hydrochloride
- IUPAC
- 3-hydroxypropyl N-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylphenyl]carbamate;hydrochloride
Names & synonyms
SCHEMBL10883797HVUNDCVIRDWOLB-UHFFFAOYSA-N2-[[2-Methyl-4-((3-hydroxypropyloxy)carbonylamino)phenyl]amino]-1-pyrroline, hydrochloride
Database identifiers
- PubChem CID
- 70465254
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Related reactions
1 records
Compound notes
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