(E)-N1-(3-(1H-imidazol-1-yl)propyl)-2-((naphthalen-1-yloxy)methyl)-N8-(tetra hydro-2H-pyran-2-yloxy)-2-octenediamide

HCID 86640100
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Basic information

Standard SMILES
O=C(CCCC/C=C(\COc1cccc2ccccc12)C(=O)NCCCn1ccnc1)NOC1CCCCO1
InChIKey
JVQPADWWNJVPON-OPEKNORGSA-N
Molecular formula
C30H38N4O5
Average molar mass
534.6 g/mol

Names & identifiers

Preferred name
(E)-N1-(3-(1H-imidazol-1-yl)propyl)-2-((naphthalen-1-yloxy)methyl)-N8-(tetra hydro-2H-pyran-2-yloxy)-2-octenediamide
IUPAC
(E)-N-(3-imidazol-1-ylpropyl)-2-(naphthalen-1-yloxymethyl)-N'-(oxan-2-yloxy)oct-2-enediamide

Names & synonyms

SCHEMBL1307152JVQPADWWNJVPON-OPEKNORGSA-N(E)-N1-(3-(1H-imidazol-1-yl)propyl)-2-((naphthalen-1-yloxy)methyl)-N8-(tetra hydro-2H-pyran-2-yloxy)-2-octenediamide

Database identifiers

PubChem CID
86640100

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
15
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

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(E)-N1-(3-(1H-imidazol-1-yl)propyl)-2-((naphthalen-1-yloxy)methyl)-N8-(tetra hydro-2H-pyran-2-yloxy)-2-octenediamide (HCID 86640100)｜Huagongshe