5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

C23H24N2O5 — CID 2258579

IUPAC5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCC[C@@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C23H24N2O5/c1-3-15(2)17-6-10-19(11-7-17)30-13-12-29-18-8-4-16(5-9-18)14-20-21(26)24-23(28)25-22(20)27/h4-11,14-15H,3,12-13H2,1-2H3,(H2,24,25,26,27,28)/t15-/m1/s1
InChIKeyAWGKUUAFVCSBPX-OAHLLOKOSA-N
MW408.45 g/mol
LogP3.41
Rot. Bonds8

About 5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2258579) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2258579
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCC[C@@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C23H24N2O5/c1-3-15(2)17-6-10-19(11-7-17)30-13-12-29-18-8-4-16(5-9-18)14-20-21(26)24-23(28)25-22(20)27/h4-11,14-15H,3,12-13H2,1-2H3,(H2,24,25,26,27,28)/t15-/m1/s1
InChIKeyAWGKUUAFVCSBPX-OAHLLOKOSA-N
XLogP3.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-[2-(4-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 2880157
(5E)-5-[[4-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2277541
4-[[4-[2-(4-butan-2-ylphenoxy)ethoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 5135736
ethyl 2-[4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetate
CID 2067554
2-[4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]propanoic acid
CID 2897357
(5Z)-5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]-3-ethoxyphenyl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 98078600
(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11253625
5-[[4-(oxiran-2-ylmethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 4554432
(6E)-6-[[4-[2-(4-butan-2-ylphenoxy)ethoxy]phenyl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 6385467
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
5-[[2-[2-(4-butan-2-ylphenoxy)ethoxy]-5-chlorophenyl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 4015068
5-[(4-ethoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
CID 1359018

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione (CID 2258579) is 5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is CC[C@@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1.
What is the InChIKey of 5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is AWGKUUAFVCSBPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-3-15(2)17-6-10-19(11-7-17)30-13-12-29-18-8-4-16(5-9-18)14-20-21(26)24-23(28)25-22(20)27/h4-11,14-15H,3,12-13H2,1-2H3,(H2,24,25,26,27,28)/t15-/m1/s1.
What are the key properties of 5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 408.45 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[4-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2258579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).