2-(1-adamantyl)-N-(hydroxymethyl)acetamide

C13H21NO2 — CID 767017

IUPAC2-(1-adamantyl)-N-(hydroxymethyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCO
InChIInChI=1S/C13H21NO2/c15-8-14-12(16)7-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11,15H,1-8H2,(H,14,16)
InChIKeyVIYBSPXUQKQUNT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.66
Rot. Bonds3

About 2-(1-adamantyl)-N-(hydroxymethyl)acetamide

2-(1-adamantyl)-N-(hydroxymethyl)acetamide (PubChem CID 767017) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(hydroxymethyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(hydroxymethyl)acetamide
PubChem CID767017
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(1-adamantyl)-N-(hydroxymethyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCO
InChIInChI=1S/C13H21NO2/c15-8-14-12(16)7-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11,15H,1-8H2,(H,14,16)
InChIKeyVIYBSPXUQKQUNT-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(adamantan-1-yl)-N-methylacetamide
CID 610088
2-(1-adamantyl)-N-(4-hydroxybutyl)acetamide
CID 106843602
N-butyladamantane-1-carboxamide
CID 585486
Adamantane-1-carboxylic acid (3-hydroxy-propyl)-amide
CID 1933432
N-(2-hydroxyethyl)adamantane-1-carboxamide
CID 1898785
N,3,5,7-tetramethyladamantane-1-carboxamide
CID 2942239
N-methyladamantane-1-carboxamide
CID 4562539
N,3,5-trimethyladamantane-1-carboxamide
CID 6468916
N-(2-hydroxyethyl)-3,5,7-trimethyladamantane-1-carboxamide
CID 2836014
N-propyladamantane-1-carboxamide
CID 2903179
N-(2-hydroxypropyl)adamantane-1-carboxamide
CID 2926775
N-(methoxymethyl)adamantane-1-carboxamide
CID 22251555

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(hydroxymethyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(hydroxymethyl)acetamide (CID 767017) is 2-(1-adamantyl)-N-(hydroxymethyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(hydroxymethyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(hydroxymethyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCO.
What is the InChIKey of 2-(1-adamantyl)-N-(hydroxymethyl)acetamide?
The InChIKey is VIYBSPXUQKQUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-8-14-12(16)7-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11,15H,1-8H2,(H,14,16).
What are the key properties of 2-(1-adamantyl)-N-(hydroxymethyl)acetamide?
2-(1-adamantyl)-N-(hydroxymethyl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(hydroxymethyl)acetamide is sourced from PubChem (CID 767017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).