4-isostearamidoethyl-7-methyl-3,6-dihydro-2H-1,4-diazepin-5-one

HCID 131712802
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Basic information

Standard SMILES
CC1=NCCN(CCNC(=O)CCCCCCCCCCCCCCC(C)C)C(=O)C1
InChIKey
UNBRWYDNGMTGDD-UHFFFAOYSA-N
Molecular formula
C26H49N3O2
Average molar mass
435.7 g/mol

Names & identifiers

Preferred name
4-isostearamidoethyl-7-methyl-3,6-dihydro-2H-1,4-diazepin-5-one
IUPAC
16-methyl-N-[2-(5-methyl-7-oxo-3,6-dihydro-2H-1,4-diazepin-1-yl)ethyl]heptadecanamide

Names & synonyms

UNBRWYDNGMTGDD-UHFFFAOYSA-N4-isostearamidoethyl-7-methyl-3,6-dihydro-2H-1,4-diazepin-5-one

Database identifiers

PubChem CID
131712802

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
61.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
18
Heavy atoms
31

Related reactions

1 records
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Linked notes

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