5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione

C22H22N2O3 — CID 14725

IUPAC5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(C2CCCCC2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C22H22N2O3/c25-20-19(16-10-4-1-5-11-16)21(26)24(18-14-8-3-9-15-18)22(27)23(20)17-12-6-2-7-13-17/h2-3,6-9,12-16,19H,1,4-5,10-11H2
InChIKeyOODLKCKQFLUWOT-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.38
Rot. Bonds3

About 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione

5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione (PubChem CID 14725) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
PubChem CID14725
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(C2CCCCC2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C22H22N2O3/c25-20-19(16-10-4-1-5-11-16)21(26)24(18-14-8-3-9-15-18)22(27)23(20)17-12-6-2-7-13-17/h2-3,6-9,12-16,19H,1,4-5,10-11H2
InChIKeyOODLKCKQFLUWOT-UHFFFAOYSA-N
XLogP4.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-phenyldihydro-2,4(1H,3H)-pyrimidinedione
CID 255219
Pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-di(2-tolyl)-
CID 584018
5-[4-(Diethylamino)benzyl]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2274195
1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2784952
Barbituric acid, 1,3,5-triphenyl-
CID 199868
Barbituric acid, 1,3-diphenyl-5-methyl-
CID 120780
2,6-Piperidinedione, 1,4-diphenyl-
CID 2812798
Barbituric acid, 5-ethyl-5-isopentyl-1-phenyl-
CID 48762
Barbituric acid, 5-allyl-1,3-diphenyl-
CID 12937
5-Cyclohexyl-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
CID 30087
Barbituric acid, 1,3-diphenyl-5-ethyl-
CID 120781
Barbituric acid, 1,3-diphenyl-5-propyl-
CID 120784

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione (CID 14725) is 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione is O=C1C(C2CCCCC2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is OODLKCKQFLUWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-20-19(16-10-4-1-5-11-16)21(26)24(18-14-8-3-9-15-18)22(27)23(20)17-12-6-2-7-13-17/h2-3,6-9,12-16,19H,1,4-5,10-11H2.
What are the key properties of 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 362.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 14725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).