4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide

C25H35NO4 — CID 71163730

IUPAC4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(OC2CCC(O)CC2)cc1)C1CCC2CC3CC(O)(C2)CC31
InChIInChI=1S/C25H35NO4/c1-26(23-11-2-16-12-18-14-25(29,13-16)15-22(18)23)24(28)17-3-7-20(8-4-17)30-21-9-5-19(27)6-10-21/h3-4,7-8,16,18-19,21-23,27,29H,2,5-6,9-15H2,1H3
InChIKeyABBSABJKILPFDF-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.77
Rot. Bonds4

About 4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide

4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide (PubChem CID 71163730) has the molecular formula C25H35NO4 and a molecular weight of 413.56 g/mol. Its IUPAC name is 4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide
PubChem CID71163730
Molecular FormulaC25H35NO4
Molecular Weight413.56 g/mol
Exact Mass413.26
IUPAC Name4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(OC2CCC(O)CC2)cc1)C1CCC2CC3CC(O)(C2)CC31
InChIInChI=1S/C25H35NO4/c1-26(23-11-2-16-12-18-14-25(29,13-16)15-22(18)23)24(28)17-3-7-20(8-4-17)30-21-9-5-19(27)6-10-21/h3-4,7-8,16,18-19,21-23,27,29H,2,5-6,9-15H2,1H3
InChIKeyABBSABJKILPFDF-UHFFFAOYSA-N
XLogP3.77
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide?
The IUPAC name of 4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide (CID 71163730) is 4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide.
What is the SMILES notation for 4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide?
The canonical SMILES for 4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide is CN(C(=O)c1ccc(OC2CCC(O)CC2)cc1)C1CCC2CC3CC(O)(C2)CC31.
What is the InChIKey of 4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide?
The InChIKey is ABBSABJKILPFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4/c1-26(23-11-2-16-12-18-14-25(29,13-16)15-22(18)23)24(28)17-3-7-20(8-4-17)30-21-9-5-19(27)6-10-21/h3-4,7-8,16,18-19,21-23,27,29H,2,5-6,9-15H2,1H3.
What are the key properties of 4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide?
4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide has a molecular weight of 413.56 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide is sourced from PubChem (CID 71163730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).