1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C18H21N3O5 — CID 78805030

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCOc2ccc(OC)cc2)c1=O
InChIInChI=1S/C18H21N3O5/c1-4-10-19-16(22)20(11-5-2)18(24)21(17(19)23)12-13-26-15-8-6-14(25-3)7-9-15/h4-9H,1-2,10-13H2,3H3
InChIKeySRTLSISHDZZALX-UHFFFAOYSA-N
MW359.38 g/mol
LogP0.63
Rot. Bonds9

About 1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 78805030) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID78805030
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCOc2ccc(OC)cc2)c1=O
InChIInChI=1S/C18H21N3O5/c1-4-10-19-16(22)20(11-5-2)18(24)21(17(19)23)12-13-26-15-8-6-14(25-3)7-9-15/h4-9H,1-2,10-13H2,3H3
InChIKeySRTLSISHDZZALX-UHFFFAOYSA-N
XLogP0.63
TPSA84.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]benzonitrile
CID 32828588
1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 138624759
1-[2-(3-bromophenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 55378562
1-[2-(4-methoxyphenoxy)ethyl]-3-prop-2-enylbenzimidazol-2-imine
CID 798717
1-[2-(4-methoxyphenoxy)ethyl]-3-prop-2-enylbenzimidazol-2-imine;hydrobromide
CID 2916413
1-[2-(2-fluorophenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 78805021
1,3-bis(prop-2-enyl)-5-(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1-prop-2-enyl-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 160608875
3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole
CID 45008665
3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one
CID 82064779
1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099479
1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82124655
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 78805030) is 1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(CCOc2ccc(OC)cc2)c1=O.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SRTLSISHDZZALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-4-10-19-16(22)20(11-5-2)18(24)21(17(19)23)12-13-26-15-8-6-14(25-3)7-9-15/h4-9H,1-2,10-13H2,3H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 359.38 g/mol, XLogP of 0.63, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 78805030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).