4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide

C15H21NO3 — CID 106825421

IUPAC4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide
SMILESNC(=O)c1ccc(COC2CCC(CO)CC2)cc1
InChIInChI=1S/C15H21NO3/c16-15(18)13-5-1-12(2-6-13)10-19-14-7-3-11(9-17)4-8-14/h1-2,5-6,11,14,17H,3-4,7-10H2,(H2,16,18)
InChIKeyIKUVOOSDOPZXLA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.85
Rot. Bonds5

About 4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide

4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide (PubChem CID 106825421) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide
PubChem CID106825421
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide
SMILESNC(=O)c1ccc(COC2CCC(CO)CC2)cc1
InChIInChI=1S/C15H21NO3/c16-15(18)13-5-1-12(2-6-13)10-19-14-7-3-11(9-17)4-8-14/h1-2,5-6,11,14,17H,3-4,7-10H2,(H2,16,18)
InChIKeyIKUVOOSDOPZXLA-UHFFFAOYSA-N
XLogP1.85
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide?
The IUPAC name of 4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide (CID 106825421) is 4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide.
What is the SMILES notation for 4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide?
The canonical SMILES for 4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide is NC(=O)c1ccc(COC2CCC(CO)CC2)cc1.
What is the InChIKey of 4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide?
The InChIKey is IKUVOOSDOPZXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c16-15(18)13-5-1-12(2-6-13)10-19-14-7-3-11(9-17)4-8-14/h1-2,5-6,11,14,17H,3-4,7-10H2,(H2,16,18).
What are the key properties of 4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide?
4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzamide is sourced from PubChem (CID 106825421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).