2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide

C16H26BrNO — CID 113274075

IUPAC2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide
SMILESCC(C)(CBr)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26BrNO/c1-15(2,10-17)18-14(19)9-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyJBFMCOWULUAXDT-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.88
Rot. Bonds4

About 2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide

2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide (PubChem CID 113274075) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide
PubChem CID113274075
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide
SMILESCC(C)(CBr)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26BrNO/c1-15(2,10-17)18-14(19)9-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyJBFMCOWULUAXDT-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide
CID 106168897
N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide
CID 114307951
2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide
CID 79989120
2-(1-adamantyl)-N-[1-chloro-2-(chloromethyl)butan-2-yl]acetamide
CID 107867700
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108539787
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
N,2-bis(1-adamantyl)acetamide
CID 3906383
1-[2-oxo-2-(sulfinoamino)ethyl]adamantane
CID 123564830
2-(1-adamantyl)-N-cyanoacetamide
CID 79194231
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide (CID 113274075) is 2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide is CC(C)(CBr)NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide?
The InChIKey is JBFMCOWULUAXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-15(2,10-17)18-14(19)9-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide?
2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide has a molecular weight of 328.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 113274075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).