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

C15H27ClN2O2 — CID 2886591

IUPACN-(1-adamantyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H26N2O2.ClH/c1-19-3-2-16-10-14(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
InChIKeyMUMXNVODNPKNPS-UHFFFAOYSA-N
MW302.85 g/mol
LogP1.73
Rot. Bonds6

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

N-(1-adamantyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 2886591) has the molecular formula C15H27ClN2O2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID2886591
Molecular FormulaC15H27ClN2O2
Molecular Weight302.85 g/mol
Exact Mass302.18
IUPAC NameN-(1-adamantyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H26N2O2.ClH/c1-19-3-2-16-10-14(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
InChIKeyMUMXNVODNPKNPS-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-(1-adamantyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 2886591) is N-(1-adamantyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(1-adamantyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(1-adamantyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-(1-adamantyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is MUMXNVODNPKNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2.ClH/c1-19-3-2-16-10-14(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-(2-methoxyethylamino)acetamide;hydrochloride?
N-(1-adamantyl)-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 2886591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).