2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide

C18H30BrNO — CID 106168897

IUPAC2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCBr)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30BrNO/c1-3-17(2,4-5-19)20-16(21)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,3-12H2,1-2H3,(H,20,21)
InChIKeyATRZSXSRGCPYHM-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.66
Rot. Bonds6

About 2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide

2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide (PubChem CID 106168897) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide
PubChem CID106168897
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCBr)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30BrNO/c1-3-17(2,4-5-19)20-16(21)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,3-12H2,1-2H3,(H,20,21)
InChIKeyATRZSXSRGCPYHM-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.66
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-2-methylpropan-2-yl)acetamide
CID 113274075
2-(1-adamantyl)-N-[1-chloro-2-(chloromethyl)butan-2-yl]acetamide
CID 107867700
2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide
CID 79989120
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108539787
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
N-(1-bromo-3-methylpentan-3-yl)oxane-4-carboxamide
CID 106169351
N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
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N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 106169068
N,2-bis(1-adamantyl)acetamide
CID 3906383
N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide
CID 75533847
2-(1-adamantyl)-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]acetamide
CID 59455800

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide (CID 106168897) is 2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide is CCC(C)(CCBr)NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide?
The InChIKey is ATRZSXSRGCPYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-3-17(2,4-5-19)20-16(21)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide?
2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide has a molecular weight of 356.35 g/mol, XLogP of 4.66, 6 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-3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 106168897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).