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

C19H27ClN2O — CID 2941724

IUPACN-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCc1ccccc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H26N2O.ClH/c22-18(12-20-11-13-4-2-1-3-5-13)21-19-16-7-14-6-15(9-16)10-17(19)8-14;/h1-5,14-17,19-20H,6-12H2,(H,21,22);1H
InChIKeyQWGRGNXBUPSBKU-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.14
Rot. Bonds5

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

N-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride (PubChem CID 2941724) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride
PubChem CID2941724
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC NameN-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCc1ccccc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H26N2O.ClH/c22-18(12-20-11-13-4-2-1-3-5-13)21-19-16-7-14-6-15(9-16)10-17(19)8-14;/h1-5,14-17,19-20H,6-12H2,(H,21,22);1H
InChIKeyQWGRGNXBUPSBKU-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.14
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-(benzylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride (CID 2941724) is N-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride is Cl.O=C(CNCc1ccccc1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride?
The InChIKey is QWGRGNXBUPSBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.ClH/c22-18(12-20-11-13-4-2-1-3-5-13)21-19-16-7-14-6-15(9-16)10-17(19)8-14;/h1-5,14-17,19-20H,6-12H2,(H,21,22);1H.
What are the key properties of N-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride?
N-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(benzylamino)acetamide;hydrochloride is sourced from PubChem (CID 2941724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).