1H-Indole-3-acetic acid, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, (1-methylethylidene)hydrazide, monohydrochloride
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Basic information
- CAS
145296-57-7- Standard SMILES
CC(C)=NNC(=O)Cc1c[nH]c2cccc(OCC(O)CNC(C)(C)C)c12.Cl- InChIKey
AXWYGJJMXJQZJT-UHFFFAOYSA-N- Molecular formula
- C20H31ClN4O3
- Average molar mass
- 410.9 g/mol
- Monoisotopic mass
- 410.2084686
Names & identifiers
- Preferred name
- 1H-Indole-3-acetic acid, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, (1-methylethylidene)hydrazide, monohydrochloride
- IUPAC
- 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]-N-(propan-2-ylideneamino)acetamide;hydrochloride
- English name
- 2-[4-[2-hydroxy-3-(tert-butylamino)propoxy]-1H-indol-3-yl]-N-(propan-2 -ylideneamino)acetamide hydrochloride
- Molecular formula
- C20H31ClN4O3
- Molecular weight
- 0
Names & synonyms
145296-57-71H-Indole-3-acetic acid, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, (1-methylethylidene)hydrazide, monohydrochlorideRefChem:2390542-(4-(3-(tert-butylamino)-2-hydroxypropoxy)-1H-indol-3-yl)-N'-(propan-2-ylidene)acetohydrazide hydrochlorideDTXSID90932563AKOS0323922942-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]-N-(propan-2-ylideneamino)acetamide;hydrochlorideSR-01000161929SR-01000161929-1{4-[3-(tert-Butylamino)-2-hydroxypropoxy]-1H-indol-3-yl}-N-(propan-2-ylidene)ethanehydrazonic acid--hydrogen chloride (1/1)2-{4-[3-(tert-Butylamino)-2-hydroxypropoxy]-1H-indol-3-yl}-N-(propan-2-ylidene)ethanehydrazonic acid--hydrogen chloride (1/1)2-[4-[2-hydroxy-3-(tert-butylamino)propoxy]-1H-indol-3-yl]-N-(propan-2 -ylideneamino)acetamide hydrochloride
Database identifiers
- CAS
145296-57-7- PubChem CID
- 3072991
- DTXSID
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
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Compound notes
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