5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione

C16H20N2O5 — CID 165342736

IUPAC5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)N([14CH2]OC)C(=O)N([14CH2]OC)C1=O
InChIInChI=1S/C16H20N2O5/c1-4-16(12-8-6-5-7-9-12)13(19)17(10-22-2)15(21)18(11-23-3)14(16)20/h5-9H,4,10-11H2,1-3H3/i10+2,11+2
InChIKeyDACOQFZGGLCXMA-QBHSWEOZSA-N
MW324.33 g/mol
LogP1.33
Rot. Bonds6

About 5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione

5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 165342736) has the molecular formula C16H20N2O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID165342736
Molecular FormulaC16H20N2O5
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)N([14CH2]OC)C(=O)N([14CH2]OC)C1=O
InChIInChI=1S/C16H20N2O5/c1-4-16(12-8-6-5-7-9-12)13(19)17(10-22-2)15(21)18(11-23-3)14(16)20/h5-9H,4,10-11H2,1-3H3/i10+2,11+2
InChIKeyDACOQFZGGLCXMA-QBHSWEOZSA-N
XLogP1.33
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1,3-bis(methylsulfanylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 548425
1,3-bis[tert-butyl(dimethyl)silyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 91744808
1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 15931
(5S)-5-ethyl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 38988304
1,4-dibenzyl-6-ethyl-6-phenyl-1,4-diazepane-5,7-dione
CID 11971389
(5R)-1-benzoyl-5-ethyl-3-(3-fluorobenzoyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 41003640
5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazinane-2,4,6-trione
CID 600468
1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 24834068
5-ethyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033297
1-[2-(diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 14414
1,3-bis[3-(dimethylamino)-1-phenylpropyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;dihydrobromide
CID 3026935
(1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one
CID 100968951

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione (CID 165342736) is 5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione is CCC1(c2ccccc2)C(=O)N([14CH2]OC)C(=O)N([14CH2]OC)C1=O.
What is the InChIKey of 5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is DACOQFZGGLCXMA-QBHSWEOZSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-4-16(12-8-6-5-7-9-12)13(19)17(10-22-2)15(21)18(11-23-3)14(16)20/h5-9H,4,10-11H2,1-3H3/i10+2,11+2.
What are the key properties of 5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 324.33 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-bis(methoxy(114C)methyl)-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 165342736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).