N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride

C16H29ClN2O — CID 16800355

IUPACN-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC1C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-3-18(4-2)10-15(19)17-16-13-6-11-5-12(8-13)9-14(16)7-11;/h11-14,16H,3-10H2,1-2H3,(H,17,19);1H
InChIKeyTXMRNAGQYUXVKX-UHFFFAOYSA-N
MW300.87 g/mol
LogP2.69
Rot. Bonds5

About N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride

N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride (PubChem CID 16800355) has the molecular formula C16H29ClN2O and a molecular weight of 300.87 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride
PubChem CID16800355
Molecular FormulaC16H29ClN2O
Molecular Weight300.87 g/mol
Exact Mass300.20
IUPAC NameN-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC1C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-3-18(4-2)10-15(19)17-16-13-6-11-5-12(8-13)9-14(16)7-11;/h11-14,16H,3-10H2,1-2H3,(H,17,19);1H
InChIKeyTXMRNAGQYUXVKX-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride 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-adamantyl)-2-(diethylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride (CID 16800355) is N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride is CCN(CC)CC(=O)NC1C2CC3CC(C2)CC1C3.Cl.
What is the InChIKey of N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride?
The InChIKey is TXMRNAGQYUXVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.ClH/c1-3-18(4-2)10-15(19)17-16-13-6-11-5-12(8-13)9-14(16)7-11;/h11-14,16H,3-10H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride?
N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride has a molecular weight of 300.87 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(diethylamino)acetamide;hydrochloride is sourced from PubChem (CID 16800355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).