H 216-44
Basic information
- CAS
108495-27-8- Standard SMILES
O=C(NCCNCC(O)COc1ccc(CCOCCOCC2CC2)cc1)N1CCC(O)CC1- InChIKey
IWACLEHDBMHXHC-UHFFFAOYSA-N- Molecular formula
- C25H41N3O6
- Average molar mass
- 479.6 g/mol
- Monoisotopic mass
- 479.29953604
Overview
structure given in first source
Names & identifiers
- Preferred name
- H 216-44
- IUPAC
- N-[2-[[3-[4-[2-[2-(cyclopropylmethoxy)ethoxy]ethyl]phenoxy]-2-hydroxypropyl]amino]ethyl]-4-hydroxypiperidine-1-carboxamide
- English name
- H 216-44
- Molecular formula
- C25H41N3O6
- Molecular weight
- 479.61
Names & synonyms
108495-27-8H 21644H 216-44H-216-44RefChem:922659N-[2-[[3-[4-[2-[2-(cyclopropylmethoxy)ethoxy]ethyl]phenoxy]-2-hydroxypropyl]amino]ethyl]-4-hydroxypiperidine-1-carboxamideN-(2-{[3-(4-{2-[2-(CYCLOPROPYLMETHOXY)ETHOXY]ETHYL}PHENOXY)-2-HYDROXYPROPYL]AMINO}ETHYL)-4-HYDROXYPIPERIDINE-1-CARBOXAMIDEH-216/44CHEMBL151651SCHEMBL29426310DTXSID50910746L002328
Show more names
1-Piperidinecarboxamide, N-[2-[[3-[4-[2-[2-(cyclopropylmethoxy)ethoxy]ethyl]phenoxy]-2-hydroxypropyl]amino]ethyl]-4-hydroxy-N-(2-((3-(4-(2-(2-(Cyclopropylmethoxy)ethoxy)ethyl )Phenoxy)-2-Hydroxypropyl)amino)ethyl )-4-Hydroxy-1- Piperidinecarboxamide
1-Piperidinecarboxamide, N-(2-((3-(4-(2-(2-(cyclopropylmethoxy)ethoxy)ethyl)phenoxy)-2-hydroxypropyl)amino)ethyl)-4-hydroxy-N-(2-{[3-(4-{2-[2-(Cyclopropylmethoxy)ethoxy]ethyl}phenoxy)-2-hydroxypropyl]amino}ethyl)-4-hydroxypiperidine-1-carboximidic acid
Database identifiers
- CAS
108495-27-8- PubChem CID
- 130141
- DTXSID
DTXSID50910746- ChEMBL
CHEMBL151651- Nikkaji
- J1.087.137I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 549
Experimental & physicochemical properties
LogP-0.1
Physicochemical properties
- Boiling point
- 709.3 · 709.3±60.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- pka
- 13.9 · 13.90±0.20(Predicted)
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Related reactions
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Compound notes
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