2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide

C16H27NO2 — CID 106843602

IUPAC2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCCCO
InChIInChI=1S/C16H27NO2/c18-4-2-1-3-17-15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,18H,1-11H2,(H,17,19)
InChIKeyZUBAENSVWLAOOU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.48
Rot. Bonds6

About 2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide

2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide (PubChem CID 106843602) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide
PubChem CID106843602
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCCCO
InChIInChI=1S/C16H27NO2/c18-4-2-1-3-17-15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,18H,1-11H2,(H,17,19)
InChIKeyZUBAENSVWLAOOU-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-adamantyl)-N-(4-hydroxybutyl)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

3-[(1-Adamantylcarbonyl)amino]propanoic acid
CID 2456580
2-(1-adamantyl)-N-(hydroxymethyl)acetamide
CID 767017
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N,N'-(2-hydroxy-1,3-propanediyl)bis-
CID 3071720
Adamantane-1-carboxylic acid (3-hydroxy-propyl)-amide
CID 1933432
N-(2-hydroxyethyl)adamantane-1-carboxamide
CID 1898785
N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide
CID 2836014
N-(4-fluoro-5-hydroxypentyl)adamantane-1-carboxamide
CID 177852063
N-(3-methoxypropyl)adamantane-1-carboxamide
CID 2805242
N-(2-hydroxypropyl)adamantane-1-carboxamide
CID 2926775
3-hydroxy-N-(3-methylbutyl)adamantane-1-carboxamide
CID 4834141
(3r,5r,7r)-N-((1-(hydroxymethyl)cyclopropyl)methyl)adamantane-1-carboxamide
CID 49670939
N-(3-cyclopropyl-3-hydroxypropyl)adamantane-1-carboxamide
CID 71787459

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide (CID 106843602) is 2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCCCCO.
What is the InChIKey of 2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide?
The InChIKey is ZUBAENSVWLAOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-4-2-1-3-17-15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,18H,1-11H2,(H,17,19).
What are the key properties of 2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide?
2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide is sourced from PubChem (CID 106843602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).