(5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione

C23H24N2O4 — CID 121238126

IUPAC(5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C23H24N2O4/c1-4-13-25-22(27)19(21(26)24(3)23(25)28)14-18-7-5-6-8-20(18)29-15-17-11-9-16(2)10-12-17/h5-12,14H,4,13,15H2,1-3H3/b19-14-
InChIKeyKHZJXIXOLWJXPI-RGEXLXHISA-N
MW392.46 g/mol
LogP3.79
Rot. Bonds6

About (5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione

(5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 121238126) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione
PubChem CID121238126
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C23H24N2O4/c1-4-13-25-22(27)19(21(26)24(3)23(25)28)14-18-7-5-6-8-20(18)29-15-17-11-9-16(2)10-12-17/h5-12,14H,4,13,15H2,1-3H3/b19-14-
InChIKeyKHZJXIXOLWJXPI-RGEXLXHISA-N
XLogP3.79
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione (CID 121238126) is (5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione is CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)C(=O)N(C)C1=O.
What is the InChIKey of (5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is KHZJXIXOLWJXPI-RGEXLXHISA-N. The full InChI is InChI=1S/C23H24N2O4/c1-4-13-25-22(27)19(21(26)24(3)23(25)28)14-18-7-5-6-8-20(18)29-15-17-11-9-16(2)10-12-17/h5-12,14H,4,13,15H2,1-3H3/b19-14-.
What are the key properties of (5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione?
(5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 392.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-methyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 121238126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).