tert-Butyl 4-[(benzyloxy)methyl]hexahydro-2-methylene-3-oxo-1,4-diazepine-1-carboxylate

HCID 21962090
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Basic information

Standard SMILES
C=C1C(=O)N(COCc2ccccc2)CCCN1C(=O)OC(C)(C)C
InChIKey
UHXNYFSANDTNEM-UHFFFAOYSA-N
Molecular formula
C19H26N2O4
Average molar mass
346.4 g/mol

Names & identifiers

Preferred name
tert-Butyl 4-[(benzyloxy)methyl]hexahydro-2-methylene-3-oxo-1,4-diazepine-1-carboxylate
IUPAC
tert-butyl 2-methylidene-3-oxo-4-(phenylmethoxymethyl)-1,4-diazepane-1-carboxylate

Names & synonyms

UHXNYFSANDTNEM-UHFFFAOYSA-Ntert-Butyl 4-[(benzyloxy)methyl]hexahydro-2-methylene-3-oxo-1,4-diazepine-1-carboxylate

Database identifiers

PubChem CID
21962090

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
59.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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tert-Butyl 4-[(benzyloxy)methyl]hexahydro-2-methylene-3-oxo-1,4-diazepine-1-carboxylate (HCID 21962090)｜Huagongshe