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

C13H23ClN2O — CID 2941494

IUPACN-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC1C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-14-7-12(16)15-13-10-3-8-2-9(5-10)6-11(13)4-8;/h8-11,13-14H,2-7H2,1H3,(H,15,16);1H
InChIKeyWADQOGVQKNECPP-UHFFFAOYSA-N
MW258.79 g/mol
LogP1.57
Rot. Bonds3

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

N-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride (PubChem CID 2941494) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride
PubChem CID2941494
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC NameN-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC1C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-14-7-12(16)15-13-10-3-8-2-9(5-10)6-11(13)4-8;/h8-11,13-14H,2-7H2,1H3,(H,15,16);1H
InChIKeyWADQOGVQKNECPP-UHFFFAOYSA-N
XLogP1.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride (CID 2941494) is N-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NC1C2CC3CC(C2)CC1C3.Cl.
What is the InChIKey of N-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride?
The InChIKey is WADQOGVQKNECPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-14-7-12(16)15-13-10-3-8-2-9(5-10)6-11(13)4-8;/h8-11,13-14H,2-7H2,1H3,(H,15,16);1H.
What are the key properties of N-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride?
N-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 2941494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).