(5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione

C24H26N2O4 — CID 126200752

IUPAC(5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCC(C)COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc12
InChIInChI=1S/C24H26N2O4/c1-15(2)14-30-21-12-11-16(18-9-5-6-10-19(18)21)13-20-22(27)25-24(29)26(23(20)28)17-7-3-4-8-17/h5-6,9-13,15,17H,3-4,7-8,14H2,1-2H3,(H,25,27,29)/b20-13-
InChIKeyMUZRCCCWHNMJRQ-MOSHPQCFSA-N
MW406.48 g/mol
LogP4.28
Rot. Bonds5

About (5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione

(5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 126200752) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is (5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID126200752
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name(5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCC(C)COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc12
InChIInChI=1S/C24H26N2O4/c1-15(2)14-30-21-12-11-16(18-9-5-6-10-19(18)21)13-20-22(27)25-24(29)26(23(20)28)17-7-3-4-8-17/h5-6,9-13,15,17H,3-4,7-8,14H2,1-2H3,(H,25,27,29)/b20-13-
InChIKeyMUZRCCCWHNMJRQ-MOSHPQCFSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
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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Related Compounds

5-[(2-butan-2-yloxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 3449151
1-cyclohexyl-5-[(2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 4202872
(5E)-1-cyclohexyl-5-[(1-propylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1400750
1-cyclohexyl-5-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3719920
(5E)-1-cyclohexyl-5-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 6107992
(5E)-1-cyclohexyl-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1380858
1-cyclohexyl-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 4315836
1-cyclopentyl-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 78415939
1-cyclohexyl-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3309991
(5Z)-1-cyclohexyl-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2288276
5-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 5217941
1-cyclohexyl-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 4034770

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione (CID 126200752) is (5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione is CC(C)COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc12.
What is the InChIKey of (5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is MUZRCCCWHNMJRQ-MOSHPQCFSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-15(2)14-30-21-12-11-16(18-9-5-6-10-19(18)21)13-20-22(27)25-24(29)26(23(20)28)17-7-3-4-8-17/h5-6,9-13,15,17H,3-4,7-8,14H2,1-2H3,(H,25,27,29)/b20-13-.
What are the key properties of (5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione?
(5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 406.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-cyclopentyl-5-[[4-(2-methylpropoxy)naphthalen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 126200752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).