5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione

C14H22N2O4 — CID 24187

IUPAC5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC(O)C2CCCCC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H22N2O4/c1-2-14(11(18)15-13(20)16-12(14)19)8-10(17)9-6-4-3-5-7-9/h9-10,17H,2-8H2,1H3,(H2,15,16,18,19,20)
InChIKeyIVLKMPFIHGOSCI-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.08
Rot. Bonds4

About 5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione

5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 24187) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID24187
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC(O)C2CCCCC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H22N2O4/c1-2-14(11(18)15-13(20)16-12(14)19)8-10(17)9-6-4-3-5-7-9/h9-10,17H,2-8H2,1H3,(H2,15,16,18,19,20)
InChIKeyIVLKMPFIHGOSCI-UHFFFAOYSA-N
XLogP1.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Isopropyl-5-(beta-hydroxypropyl)barbituric acid
CID 36609
Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-(1-methylbutyl)-
CID 57664
5-(2-Hydroxypropyl)-5-(1-methylbutyl) barbituric acid
CID 324328
5-[(4-Hydroxycyclohexyl)methyl]-1,3-diazinane-2,4,6-trione
CID 73333585
4'-Hydroxybutobarbitone
CID 133850
4'-Hydroxypentobarbitone
CID 135865
5-Ethyl-5-(2-hydroxypropyl)pyrimidine-2,4,6(1h,3h,5h)-trione
CID 257329
5-Butyl-5-(2-hydroxyethyl)pyrimidine-2,4,6(1h,3h,5h)-trione
CID 257204
Butobarbital M (OH)
CID 528887
Dipropylbarbituric acid M (OH), #2
CID 528894
S3Aac9B2CP
CID 54198074
Sodium 5-(2-hydroxyethyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 24189168

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione (CID 24187) is 5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione is CCC1(CC(O)C2CCCCC2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IVLKMPFIHGOSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-14(11(18)15-13(20)16-12(14)19)8-10(17)9-6-4-3-5-7-9/h9-10,17H,2-8H2,1H3,(H2,15,16,18,19,20).
What are the key properties of 5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 282.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 24187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).