1-Cyclobutyl-4-{[1-(cyclohexylcarbonyl)azetidin-3-yl]carbonyl}-1,4-diazepane

HCID 46850996
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Basic information

Standard SMILES
O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCCN(C2CCC2)CC1
InChIKey
KXDJKEDKTQGGBF-UHFFFAOYSA-N
Molecular formula
C20H33N3O2
Average molar mass
347.5 g/mol

Names & identifiers

Preferred name
1-Cyclobutyl-4-{[1-(cyclohexylcarbonyl)azetidin-3-yl]carbonyl}-1,4-diazepane
IUPAC
[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-1-yl]-cyclohexylmethanone

Names & synonyms

SCHEMBL600456KXDJKEDKTQGGBF-UHFFFAOYSA-N1-cyclobutyl-4-{[1-(cyclohexylcarbonyl)azetidin-3-yl]carbonyl}-1,4-diazepane

Database identifiers

PubChem CID
46850996

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
43.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
25

Related reactions

1 records
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Compound notes

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