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

C16H29ClN2O2 — CID 2886392

IUPACN-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C16H28N2O2.ClH/c1-20-3-2-17-10-15(19)18-11-16-7-12-4-13(8-16)6-14(5-12)9-16;/h12-14,17H,2-11H2,1H3,(H,18,19);1H
InChIKeyIQFNYWAOUHYBIW-UHFFFAOYSA-N
MW316.87 g/mol
LogP1.98
Rot. Bonds7

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

N-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 2886392) has the molecular formula C16H29ClN2O2 and a molecular weight of 316.87 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID2886392
Molecular FormulaC16H29ClN2O2
Molecular Weight316.87 g/mol
Exact Mass316.19
IUPAC NameN-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C16H28N2O2.ClH/c1-20-3-2-17-10-15(19)18-11-16-7-12-4-13(8-16)6-14(5-12)9-16;/h12-14,17H,2-11H2,1H3,(H,18,19);1H
InChIKeyIQFNYWAOUHYBIW-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.87
LogP ≤ 51.98
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-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 2886392) is N-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NCC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is IQFNYWAOUHYBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.ClH/c1-20-3-2-17-10-15(19)18-11-16-7-12-4-13(8-16)6-14(5-12)9-16;/h12-14,17H,2-11H2,1H3,(H,18,19);1H.
What are the key properties of N-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 316.87 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 2886392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).