N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide

C16H23NO2 — CID 65124263

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
SMILESCCC1CCC(O)(CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-13-8-10-16(19,11-9-13)12-17-15(18)14-6-4-3-5-7-14/h3-7,13,19H,2,8-12H2,1H3,(H,17,18)
InChIKeyTUCULAAGBSWKHG-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.75
Rot. Bonds4

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide (PubChem CID 65124263) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
PubChem CID65124263
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
SMILESCCC1CCC(O)(CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-13-8-10-16(19,11-9-13)12-17-15(18)14-6-4-3-5-7-14/h3-7,13,19H,2,8-12H2,1H3,(H,17,18)
InChIKeyTUCULAAGBSWKHG-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-ethyl-1-hydroxycyclohexyl)methyl]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 N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide (CID 65124263) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide is CCC1CCC(O)(CNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is TUCULAAGBSWKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-13-8-10-16(19,11-9-13)12-17-15(18)14-6-4-3-5-7-14/h3-7,13,19H,2,8-12H2,1H3,(H,17,18).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 261.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 65124263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).