6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione

C28H32N2O2 — CID 145044832

IUPAC6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione
SMILESO=C1C(c2ccccc2)C(=C2CCC2)N(CCc2ccccc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C28H32N2O2/c31-27-25(22-13-6-2-7-14-22)26(23-15-10-16-23)29(20-19-21-11-4-1-5-12-21)28(32)30(27)24-17-8-3-9-18-24/h1-2,4-7,11-14,24-25H,3,8-10,15-20H2
InChIKeyUIFYDRJTABQRGV-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.05
Rot. Bonds5

About 6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione

6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione (PubChem CID 145044832) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione
PubChem CID145044832
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione
SMILESO=C1C(c2ccccc2)C(=C2CCC2)N(CCc2ccccc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C28H32N2O2/c31-27-25(22-13-6-2-7-14-22)26(23-15-10-16-23)29(20-19-21-11-4-1-5-12-21)28(32)30(27)24-17-8-3-9-18-24/h1-2,4-7,11-14,24-25H,3,8-10,15-20H2
InChIKeyUIFYDRJTABQRGV-UHFFFAOYSA-N
XLogP6.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 84602875
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3,4-diphenyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 102100803
(3aS,4S,7S,7aR)-2-cyclohexyl-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6593595
1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 2187415
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CID 57328011
1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-5-phenylimidazolidine-2,4-dione
CID 55733318
benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane
CID 167545184
1-cycloheptyl-3-(4-methylphenyl)-4-(2-phenylethyl)piperazine-2,5-dione
CID 5156578
2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630896
2-[(2R)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630897
(4aR,8aS)-3-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxazine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione (CID 145044832) is 6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione is O=C1C(c2ccccc2)C(=C2CCC2)N(CCc2ccccc2)C(=O)N1C1CCCCC1.
What is the InChIKey of 6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione?
The InChIKey is UIFYDRJTABQRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c31-27-25(22-13-6-2-7-14-22)26(23-15-10-16-23)29(20-19-21-11-4-1-5-12-21)28(32)30(27)24-17-8-3-9-18-24/h1-2,4-7,11-14,24-25H,3,8-10,15-20H2.
What are the key properties of 6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione?
6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione has a molecular weight of 428.58 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutylidene-3-cyclohexyl-5-phenyl-1-(2-phenylethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 145044832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).