1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione

C25H32N2O4 — CID 21434679

IUPAC1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCC(C)C1N(CC(O)c2ccccc2)C(=O)N(CC(O)c2ccccc2)C(=O)C1(C)C
InChIInChI=1S/C25H32N2O4/c1-17(2)22-25(3,4)23(30)27(16-21(29)19-13-9-6-10-14-19)24(31)26(22)15-20(28)18-11-7-5-8-12-18/h5-14,17,20-22,28-29H,15-16H2,1-4H3
InChIKeyILYLNRBKQMGYFQ-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.77
Rot. Bonds7

About 1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione

1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione (PubChem CID 21434679) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione
PubChem CID21434679
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCC(C)C1N(CC(O)c2ccccc2)C(=O)N(CC(O)c2ccccc2)C(=O)C1(C)C
InChIInChI=1S/C25H32N2O4/c1-17(2)22-25(3,4)23(30)27(16-21(29)19-13-9-6-10-14-19)24(31)26(22)15-20(28)18-11-7-5-8-12-18/h5-14,17,20-22,28-29H,15-16H2,1-4H3
InChIKeyILYLNRBKQMGYFQ-UHFFFAOYSA-N
XLogP3.77
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-(2-hydroxy-2-phenylethyl)-3,5-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 138510118
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5,5-diethyl-3-[(2S)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571808
5-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)-5-methylimidazolidine-2,4-dione
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1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione
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4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione
CID 61328165
3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 32519562
5-ethyl-5-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)imidazolidine-2,4-dione
CID 17454359
1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
CID 21492519
(4R)-1-phenylpentane-1,4-diol
CID 13204353
1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 110026793
1-[(2S)-2-hydroxy-2-phenylethyl]pyridin-2-one
CID 36689704

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione (CID 21434679) is 1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione is CC(C)C1N(CC(O)c2ccccc2)C(=O)N(CC(O)c2ccccc2)C(=O)C1(C)C.
What is the InChIKey of 1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione?
The InChIKey is ILYLNRBKQMGYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-17(2)22-25(3,4)23(30)27(16-21(29)19-13-9-6-10-14-19)24(31)26(22)15-20(28)18-11-7-5-8-12-18/h5-14,17,20-22,28-29H,15-16H2,1-4H3.
What are the key properties of 1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione?
1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione has a molecular weight of 424.54 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxy-2-phenylethyl)-5,5-dimethyl-6-propan-2-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 21434679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).