N-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride

C15H25ClN2O — CID 2886171

IUPACN-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride
SMILESC=CCNCC(=O)NC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-2-3-16-10-14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15;/h2,11-13,16H,1,3-10H2,(H,17,18);1H
InChIKeyMWTIMBLBGSIYGA-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.27
Rot. Bonds5

About N-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride

N-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride (PubChem CID 2886171) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride
PubChem CID2886171
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride
SMILESC=CCNCC(=O)NC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-2-3-16-10-14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15;/h2,11-13,16H,1,3-10H2,(H,17,18);1H
InChIKeyMWTIMBLBGSIYGA-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride?
The IUPAC name of N-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride (CID 2886171) is N-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride?
The canonical SMILES for N-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride is C=CCNCC(=O)NC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride?
The InChIKey is MWTIMBLBGSIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-2-3-16-10-14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15;/h2,11-13,16H,1,3-10H2,(H,17,18);1H.
What are the key properties of N-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride?
N-(1-adamantyl)-2-(prop-2-enylamino)acetamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.27, 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-(prop-2-enylamino)acetamide;hydrochloride is sourced from PubChem (CID 2886171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).