(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

C28H28N2O6 — CID 126155150

IUPAC(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCC)ccc4ccccc34)C2=O)cc1OC
InChIInChI=1S/C28H28N2O6/c1-4-14-36-24-12-10-18(15-25(24)34-3)17-30-27(32)22(26(31)29-28(30)33)16-21-20-9-7-6-8-19(20)11-13-23(21)35-5-2/h6-13,15-16H,4-5,14,17H2,1-3H3,(H,29,31,33)/b22-16+
InChIKeySXKXZSFURFHACD-CJLVFECKSA-N
MW488.54 g/mol
LogP4.70
Rot. Bonds9

About (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 126155150) has the molecular formula C28H28N2O6 and a molecular weight of 488.54 g/mol. Its IUPAC name is (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID126155150
Molecular FormulaC28H28N2O6
Molecular Weight488.54 g/mol
Exact Mass488.19
IUPAC Name(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCC)ccc4ccccc34)C2=O)cc1OC
InChIInChI=1S/C28H28N2O6/c1-4-14-36-24-12-10-18(15-25(24)34-3)17-30-27(32)22(26(31)29-28(30)33)16-21-20-9-7-6-8-19(20)11-13-23(21)35-5-2/h6-13,15-16H,4-5,14,17H2,1-3H3,(H,29,31,33)/b22-16+
InChIKeySXKXZSFURFHACD-CJLVFECKSA-N
XLogP4.70
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylidene]-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 126194595
(5E)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 126150332
5-[(3,4-diethoxyphenyl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 4604591
(5E)-5-[(2-ethoxyphenyl)methylidene]-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 126196502
(5E)-5-[(4-ethoxyphenyl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 126133901
(5E)-5-[(3-bromo-4-propoxyphenyl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 126144872
(5E)-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 126134920
(5E)-5-[[3-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 126129123
(5E)-5-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 126195780
(5E)-5-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 126139216
[4-bromo-2-[(E)-[1-[(3-methoxy-4-propoxyphenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenyl] benzenesulfonate
CID 126138049
(5E)-5-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1-[(3-ethoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 126201670

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione (CID 126155150) is (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione is CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OCC)ccc4ccccc34)C2=O)cc1OC.
What is the InChIKey of (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is SXKXZSFURFHACD-CJLVFECKSA-N. The full InChI is InChI=1S/C28H28N2O6/c1-4-14-36-24-12-10-18(15-25(24)34-3)17-30-27(32)22(26(31)29-28(30)33)16-21-20-9-7-6-8-19(20)11-13-23(21)35-5-2/h6-13,15-16H,4-5,14,17H2,1-3H3,(H,29,31,33)/b22-16+.
What are the key properties of (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 488.54 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 126155150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).