cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate

C18H22N2O4 — CID 4172548

IUPACcyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
SMILESC=C1NC(=O)NC(c2ccc(O)cc2)C1C(=O)OC1CCCCC1
InChIInChI=1S/C18H22N2O4/c1-11-15(17(22)24-14-5-3-2-4-6-14)16(20-18(23)19-11)12-7-9-13(21)10-8-12/h7-10,14-16,21H,1-6H2,(H2,19,20,23)
InChIKeyCKCZTIRFFWZESB-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.75
Rot. Bonds3

About cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate

cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate (PubChem CID 4172548) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate.

Molecular Properties

Compound Namecyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
PubChem CID4172548
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namecyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
SMILESC=C1NC(=O)NC(c2ccc(O)cc2)C1C(=O)OC1CCCCC1
InChIInChI=1S/C18H22N2O4/c1-11-15(17(22)24-14-5-3-2-4-6-14)16(20-18(23)19-11)12-7-9-13(21)10-8-12/h7-10,14-16,21H,1-6H2,(H2,19,20,23)
InChIKeyCKCZTIRFFWZESB-UHFFFAOYSA-N
XLogP2.75
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate?
The IUPAC name of cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate (CID 4172548) is cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate.
What is the SMILES notation for cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate?
The canonical SMILES for cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate is C=C1NC(=O)NC(c2ccc(O)cc2)C1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate?
The InChIKey is CKCZTIRFFWZESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-15(17(22)24-14-5-3-2-4-6-14)16(20-18(23)19-11)12-7-9-13(21)10-8-12/h7-10,14-16,21H,1-6H2,(H2,19,20,23).
What are the key properties of cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate?
cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate is sourced from PubChem (CID 4172548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).