1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione

C14H21N3O4 — CID 7460984

IUPAC1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CCO)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C14H21N3O4/c1-9(15-7-8-18)11-12(19)16-14(21)17(13(11)20)10-5-3-2-4-6-10/h10-11,18H,2-8H2,1H3,(H,16,19,21)/b15-9+
InChIKeyRLYYPRMKAIHGED-OQLLNIDSSA-N
MW295.34 g/mol
LogP0.47
Rot. Bonds4

About 1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione

1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7460984) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7460984
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CCO)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C14H21N3O4/c1-9(15-7-8-18)11-12(19)16-14(21)17(13(11)20)10-5-3-2-4-6-10/h10-11,18H,2-8H2,1H3,(H,16,19,21)/b15-9+
InChIKeyRLYYPRMKAIHGED-OQLLNIDSSA-N
XLogP0.47
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(C,N-dimethylcarbonimidoyl)-1-hexyl-1,3-diazinane-2,4,6-trione
CID 7182793
5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7358786
(5R)-5-(C,N-dimethylcarbonimidoyl)-1-hexyl-1,3-diazinane-2,4,6-trione
CID 7368347
1-cyclohexyl-5-(N-hexyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
CID 7461038
(5R)-1-butyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461170
1-cyclohexyl-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461546
1-cyclohexyl-5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461606
(5R)-1-butyl-5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461620
1-cyclohexyl-5-(C-ethyl-N-hexylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
CID 7461703
(5R)-1-butyl-5-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461735
(5R)-1-butyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461884
5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461971

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7460984) is 1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione is C/C(=N\CCO)C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is RLYYPRMKAIHGED-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9(15-7-8-18)11-12(19)16-14(21)17(13(11)20)10-5-3-2-4-6-10/h10-11,18H,2-8H2,1H3,(H,16,19,21)/b15-9+.
What are the key properties of 1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 295.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7460984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).