5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione

C18H24N2O4 — CID 134092691

IUPAC5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione
SMILESCCCC(C)C1(C(C)OCc2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C18H24N2O4/c1-4-8-12(2)18(15(21)19-17(23)20-16(18)22)13(3)24-11-14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyUYACIUADOGFNNR-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.38
Rot. Bonds7

About 5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione

5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 134092691) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione
PubChem CID134092691
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione
SMILESCCCC(C)C1(C(C)OCc2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C18H24N2O4/c1-4-8-12(2)18(15(21)19-17(23)20-16(18)22)13(3)24-11-14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyUYACIUADOGFNNR-UHFFFAOYSA-N
XLogP2.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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[(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene
CID 145114900
[2-oxo-3-(2,4,6-trioxo-5-pentan-2-yl-1,3-diazinan-5-yl)propyl] benzoate
CID 15160043
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(2S,3S)-3-methyl-2-phenylmethoxypentanal
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CID 67274082

Frequently Asked Questions

What is the IUPAC name of 5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione (CID 134092691) is 5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione is CCCC(C)C1(C(C)OCc2ccccc2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is UYACIUADOGFNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-8-12(2)18(15(21)19-17(23)20-16(18)22)13(3)24-11-14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione?
5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 332.40 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-2-yl-5-(1-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 134092691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).