3-((2-Cyclohexyl-2-hydroxyethylidene)amino)-2,5-dioxo-4-imidazolidineheptanoic acid

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Basic information

CAS: 94125-79-8
Standard SMILES: O=C(O)CCCCCCC1C(=O)NC(=O)N1/N=C/C(=O)C1CCCCC1
InChIKey: XOVKWZIGMFIVIT-XDHOZWIPSA-N
Molecular formula: C18H27N3O5
Average molar mass: 365.4 g/mol
Monoisotopic mass: 365.19507097

Overview

structure given in first source

Names & identifiers

Preferred name: 3-((2-Cyclohexyl-2-hydroxyethylidene)amino)-2,5-dioxo-4-imidazolidineheptanoic acid
IUPAC: 7-[3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid

Names & synonyms

94125-79-83-((2-Cyclohexyl-2-hydroxyethylidene)amino)-2,5-dioxo-4-imidazolidineheptanoic acidRefChem:919787-(3-((2-Cyclohexyl-2-oxoethylidene)amino)-2,5-dioxoimidazolidin-4-yl)heptanoic acid7-[3-[(E)-(2-cyclohexyl-2-oxoethylidene)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid13'-Aza-BW245CSCHEMBL11116685PDSP1_001684PDSP2_0016673-((2-Cyclohexyl-2-oxoethylidene)amino)-2,5-dioxo-4-imidazolidineheptanoic acid4-Imidazolidineheptanoic acid, 3-((2-cyclohexyl-2-oxoethylidene)amino)-2,5-dioxo-

Database identifiers

CAS: 94125-79-8
PubChem CID: 9578331

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 116 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 26
Formal charge: 0
Complexity: 569

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Compound notes

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