N-(t-butyloxycarbonyl)-4-(n-hexadecylamino)benzoyl-imidazole

HCID 20437338
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCCNc1ccc(C(=O)c2nccn2C(=O)OC(C)(C)C)cc1
InChIKey
XYWHJGUFJONQEN-UHFFFAOYSA-N
Molecular formula
C31H49N3O3
Average molar mass
511.7 g/mol

Names & identifiers

Preferred name
N-(t-butyloxycarbonyl)-4-(n-hexadecylamino)benzoyl-imidazole
IUPAC
tert-butyl 2-[4-(hexadecylamino)benzoyl]imidazole-1-carboxylate

Names & synonyms

SCHEMBL11068816XYWHJGUFJONQEN-UHFFFAOYSA-NN-(t-butyloxycarbonyl)-4-(n-hexadecylamino)benzoyl-imidazole

Database identifiers

PubChem CID
20437338

Properties

Computed structural properties

XLogP
10.7
Topological polar surface area
73.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
20
Heavy atoms
37

Related reactions

4 records
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Compound notes

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