N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide

C18H27NO2 — CID 139972009

IUPACN-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide
SMILESCCCCN(C(C)=O)C1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H27NO2/c1-3-4-13-19(14(2)20)17-9-5-15(6-10-17)16-7-11-18(21)12-8-16/h7-8,11-12,15,17,21H,3-6,9-10,13H2,1-2H3
InChIKeyXQYLFGOXELMFBS-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.07
Rot. Bonds5

About N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide

N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide (PubChem CID 139972009) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide
PubChem CID139972009
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide
SMILESCCCCN(C(C)=O)C1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H27NO2/c1-3-4-13-19(14(2)20)17-9-5-15(6-10-17)16-7-11-18(21)12-8-16/h7-8,11-12,15,17,21H,3-6,9-10,13H2,1-2H3
InChIKeyXQYLFGOXELMFBS-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide 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-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide?
The IUPAC name of N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide (CID 139972009) is N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide.
What is the SMILES notation for N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide?
The canonical SMILES for N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide is CCCCN(C(C)=O)C1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide?
The InChIKey is XQYLFGOXELMFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-4-13-19(14(2)20)17-9-5-15(6-10-17)16-7-11-18(21)12-8-16/h7-8,11-12,15,17,21H,3-6,9-10,13H2,1-2H3.
What are the key properties of N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide?
N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide is sourced from PubChem (CID 139972009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).