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

C14H25ClN2O2 — CID 18590766

IUPACN-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCCO)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H24N2O2.ClH/c17-2-1-15-8-13(18)16-14-11-4-9-3-10(6-11)7-12(14)5-9;/h9-12,14-15,17H,1-8H2,(H,16,18);1H
InChIKeyGKAPXKIDQGHWGS-UHFFFAOYSA-N
MW288.82 g/mol
LogP0.93
Rot. Bonds5

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

N-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride (PubChem CID 18590766) has the molecular formula C14H25ClN2O2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride
PubChem CID18590766
Molecular FormulaC14H25ClN2O2
Molecular Weight288.82 g/mol
Exact Mass288.16
IUPAC NameN-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCCO)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H24N2O2.ClH/c17-2-1-15-8-13(18)16-14-11-4-9-3-10(6-11)7-12(14)5-9;/h9-12,14-15,17H,1-8H2,(H,16,18);1H
InChIKeyGKAPXKIDQGHWGS-UHFFFAOYSA-N
XLogP0.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 50.93
H-Bond Donors ≤ 53
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-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride (CID 18590766) is N-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride is Cl.O=C(CNCCO)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride?
The InChIKey is GKAPXKIDQGHWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2.ClH/c17-2-1-15-8-13(18)16-14-11-4-9-3-10(6-11)7-12(14)5-9;/h9-12,14-15,17H,1-8H2,(H,16,18);1H.
What are the key properties of N-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride?
N-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 18590766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).