1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide

C18H27N3O4 — CID 176561401

IUPAC1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
SMILESCNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H27N3O4/c1-19-15(22)14-16(23)20(12-8-4-2-5-9-12)18(25)21(17(14)24)13-10-6-3-7-11-13/h12-14H,2-11H2,1H3,(H,19,22)
InChIKeyHISRZGLTZRVUPG-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.80
Rot. Bonds3

About 1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide

1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide (PubChem CID 176561401) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
PubChem CID176561401
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
SMILESCNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H27N3O4/c1-19-15(22)14-16(23)20(12-8-4-2-5-9-12)18(25)21(17(14)24)13-10-6-3-7-11-13/h12-14H,2-11H2,1H3,(H,19,22)
InChIKeyHISRZGLTZRVUPG-UHFFFAOYSA-N
XLogP1.80
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carboxylic acid
CID 171716389
sodium 2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetate
CID 178201338
3-cyclohexyl-N-methyl-2-oxoimidazolidine-1-carboxamide
CID 89467865
1,3-dicyclohexyl-1,3-diazepane-2,4,7-trione
CID 101192207
3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione
CID 23338139
(3S,4E)-N,1-dicyclohexyl-4-hydrazinylidene-2,5-dioxopyrrolidine-3-carboxamide
CID 98385369
1,3-dicyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 12936
3-cyclohexyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115003919
(6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10082909
1-cyclobutyl-N-methylpyrrolidine-2-carboxamide
CID 126990833
(4aR,8S,8aR)-2-cyclohexyl-N-methyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 45255739
(4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
CID 15443052

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of 1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide (CID 176561401) is 1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for 1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide is CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
The InChIKey is HISRZGLTZRVUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-19-15(22)14-16(23)20(12-8-4-2-5-9-12)18(25)21(17(14)24)13-10-6-3-7-11-13/h12-14H,2-11H2,1H3,(H,19,22).
What are the key properties of 1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide?
1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 176561401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).