(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

C23H25N3O5 — CID 6859747

IUPAC(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(OC)cc3)C2=O)c(O)c1
InChIInChI=1S/C23H25N3O5/c1-4-25(5-2)17-9-8-16(20(27)13-17)12-19-21(28)24-23(30)26(22(19)29)14-15-6-10-18(31-3)11-7-15/h6-13,27H,4-5,14H2,1-3H3,(H,24,28,30)/b19-12-
InChIKeyANUNXGDLQCGUGM-UNOMPAQXSA-N
MW423.47 g/mol
LogP2.91
Rot. Bonds7

About (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 6859747) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID6859747
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(OC)cc3)C2=O)c(O)c1
InChIInChI=1S/C23H25N3O5/c1-4-25(5-2)17-9-8-16(20(27)13-17)12-19-21(28)24-23(30)26(22(19)29)14-15-6-10-18(31-3)11-7-15/h6-13,27H,4-5,14H2,1-3H3,(H,24,28,30)/b19-12-
InChIKeyANUNXGDLQCGUGM-UNOMPAQXSA-N
XLogP2.91
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', '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

(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 7370822
(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 5291209
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 5291603
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 5291604
1-[(4-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2870598
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 2178157
1-[(4-methoxyphenyl)methyl]-5-[(1-methylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 3305357
1-[(4-methoxyphenyl)methyl]-5-(thiophen-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2870601
(5E)-5-(furan-2-ylmethylidene)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 2178158
(5E)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 96876068
(5E)-1-benzyl-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 6270491
(4Z)-1-(3-chlorophenyl)-4-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]pyrazolidine-3,5-dione
CID 1368729

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione (CID 6859747) is (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione is CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(OC)cc3)C2=O)c(O)c1.
What is the InChIKey of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is ANUNXGDLQCGUGM-UNOMPAQXSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-4-25(5-2)17-9-8-16(20(27)13-17)12-19-21(28)24-23(30)26(22(19)29)14-15-6-10-18(31-3)11-7-15/h6-13,27H,4-5,14H2,1-3H3,(H,24,28,30)/b19-12-.
What are the key properties of (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
(5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 423.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6859747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).