N-(2-acetylphenyl)adamantane-1-carboxamide

C19H23NO2 — CID 2836426

IUPACN-(2-acetylphenyl)adamantane-1-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO2/c1-12(21)16-4-2-3-5-17(16)20-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)
InChIKeyVPOKRYCJXVSFDL-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.04
Rot. Bonds3

About N-(2-acetylphenyl)adamantane-1-carboxamide

N-(2-acetylphenyl)adamantane-1-carboxamide (PubChem CID 2836426) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-acetylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)adamantane-1-carboxamide
PubChem CID2836426
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-(2-acetylphenyl)adamantane-1-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO2/c1-12(21)16-4-2-3-5-17(16)20-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)
InChIKeyVPOKRYCJXVSFDL-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-acetylphenyl)adamantane-1-carboxamide 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-(2-acetylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-acetylphenyl)adamantane-1-carboxamide (CID 2836426) is N-(2-acetylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)adamantane-1-carboxamide is CC(=O)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-acetylphenyl)adamantane-1-carboxamide?
The InChIKey is VPOKRYCJXVSFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12(21)16-4-2-3-5-17(16)20-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22).
What are the key properties of N-(2-acetylphenyl)adamantane-1-carboxamide?
N-(2-acetylphenyl)adamantane-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 2836426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).