N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride

C15H27ClN2O — CID 2870336

IUPACN-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride
SMILESCCCNCC(=O)NC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-2-3-16-10-14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-13,16H,2-10H2,1H3,(H,17,18);1H
InChIKeyLFKFMHVBOHOTCW-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.49
Rot. Bonds5

About N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride

N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride (PubChem CID 2870336) has the molecular formula C15H27ClN2O and a molecular weight of 286.85 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride
PubChem CID2870336
Molecular FormulaC15H27ClN2O
Molecular Weight286.85 g/mol
Exact Mass286.18
IUPAC NameN-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride
SMILESCCCNCC(=O)NC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-2-3-16-10-14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-13,16H,2-10H2,1H3,(H,17,18);1H
InChIKeyLFKFMHVBOHOTCW-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride?
The IUPAC name of N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride (CID 2870336) is N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride?
The canonical SMILES for N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride is CCCNCC(=O)NC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride?
The InChIKey is LFKFMHVBOHOTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.ClH/c1-2-3-16-10-14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-13,16H,2-10H2,1H3,(H,17,18);1H.
What are the key properties of N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride?
N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride has a molecular weight of 286.85 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(propylamino)acetamide;hydrochloride is sourced from PubChem (CID 2870336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).