5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione

C18H24N2O5 — CID 23621858

IUPAC5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCCOCC(O)CN1C(=O)NC(=O)C(CC)(c2ccccc2)C1=O
InChIInChI=1S/C18H24N2O5/c1-3-10-25-12-14(21)11-20-16(23)18(4-2,15(22)19-17(20)24)13-8-6-5-7-9-13/h5-9,14,21H,3-4,10-12H2,1-2H3,(H,19,22,24)
InChIKeyLHYLQQASDKYTJX-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.20
Rot. Bonds8

About 5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione

5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 23621858) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID23621858
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCCOCC(O)CN1C(=O)NC(=O)C(CC)(c2ccccc2)C1=O
InChIInChI=1S/C18H24N2O5/c1-3-10-25-12-14(21)11-20-16(23)18(4-2,15(22)19-17(20)24)13-8-6-5-7-9-13/h5-9,14,21H,3-4,10-12H2,1-2H3,(H,19,22,24)
InChIKeyLHYLQQASDKYTJX-UHFFFAOYSA-N
XLogP1.20
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[1-butoxy-3-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)propan-2-yl] carbamate;formic acid
CID 67884333
(5S)-5-ethyl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 38988304
3-[(5R)-5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl]propanoic acid
CID 67864262
1-[2-(diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 14414
5-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)pentanoyl chloride
CID 19975168
diethyl-[2-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)ethyl]-methylazanium
CID 3083946
diethyl-[2-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)ethyl]-methylazanium iodide
CID 3083945
(5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 745593
N-[(5R)-5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl]-N-[3-[4-[3-[[(5R)-5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl]-propanoylamino]propoxy]butoxy]propyl]propanamide
CID 67906205
5-ethyl-1-(2-oxo-4-piperidin-1-ylbutyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 3026969
[1-butoxy-3-[3-(2-carbamoyloxy-2-pentoxyethyl)-5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl]propan-2-yl] carbamate
CID 57394585
5-ethyl-1,3-bis(methylsulfanylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 548425

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione (CID 23621858) is 5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione is CCCOCC(O)CN1C(=O)NC(=O)C(CC)(c2ccccc2)C1=O.
What is the InChIKey of 5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is LHYLQQASDKYTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-3-10-25-12-14(21)11-20-16(23)18(4-2,15(22)19-17(20)24)13-8-6-5-7-9-13/h5-9,14,21H,3-4,10-12H2,1-2H3,(H,19,22,24).
What are the key properties of 5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 348.40 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-hydroxy-3-propoxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 23621858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).