N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide

C18H28N2O2 — CID 22448148

IUPACN-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide
SMILESO=C(CNCCCCO)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c21-13-5-4-12-19-14-18(22)20-17-10-8-16(9-11-17)15-6-2-1-3-7-15/h8-11,15,19,21H,1-7,12-14H2,(H,20,22)
InChIKeyXMLLHIZKLGOHBF-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.03
Rot. Bonds8

About N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide

N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide (PubChem CID 22448148) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide
PubChem CID22448148
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide
SMILESO=C(CNCCCCO)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c21-13-5-4-12-19-14-18(22)20-17-10-8-16(9-11-17)15-6-2-1-3-7-15/h8-11,15,19,21H,1-7,12-14H2,(H,20,22)
InChIKeyXMLLHIZKLGOHBF-UHFFFAOYSA-N
XLogP3.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 22448118
N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide
CID 22447984
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
N-(4-cyclohexylphenyl)benzamide
CID 10333838
(4-cyclopentylphenyl)urea
CID 130193151
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
CID 113268571
2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide
CID 106309850
N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 22448041
N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358506

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide?
The IUPAC name of N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide (CID 22448148) is N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide is O=C(CNCCCCO)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide?
The InChIKey is XMLLHIZKLGOHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-13-5-4-12-19-14-18(22)20-17-10-8-16(9-11-17)15-6-2-1-3-7-15/h8-11,15,19,21H,1-7,12-14H2,(H,20,22).
What are the key properties of N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide?
N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide has a molecular weight of 304.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide is sourced from PubChem (CID 22448148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).