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

C13H14N2O4 — CID 144763307

IUPAC1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCOCc2ccccc2)C(=O)N1
InChIInChI=1S/C13H14N2O4/c16-11-8-12(17)15(13(18)14-11)6-7-19-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,16,18)
InChIKeyBMQPKBPCHOKQKJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.67
Rot. Bonds5

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

1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 144763307) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione
PubChem CID144763307
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCOCc2ccccc2)C(=O)N1
InChIInChI=1S/C13H14N2O4/c16-11-8-12(17)15(13(18)14-11)6-7-19-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,16,18)
InChIKeyBMQPKBPCHOKQKJ-UHFFFAOYSA-N
XLogP0.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenylmethoxyethyl)imidazolidine-2,4-dione
CID 19829208
CID 70602235
CID 70602235
1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione
CID 69498256
2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione
CID 51354396
5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one
CID 21460407
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione
CID 72841415
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
2,4-dioxo-3-(2-phenylmethoxyethyl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid
CID 22987904
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione (CID 144763307) is 1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(CCOCc2ccccc2)C(=O)N1.
What is the InChIKey of 1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is BMQPKBPCHOKQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11-8-12(17)15(13(18)14-11)6-7-19-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,16,18).
What are the key properties of 1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione?
1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 262.26 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 144763307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).