N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide

C14H22INO — CID 4606569

IUPACN-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)CI)(C3)C2
InChIInChI=1S/C14H22INO/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)16-11(17)6-15/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyCPXUWXCOYFNNBC-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.29
Rot. Bonds2

About N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide

N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide (PubChem CID 4606569) has the molecular formula C14H22INO and a molecular weight of 347.24 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide
PubChem CID4606569
Molecular FormulaC14H22INO
Molecular Weight347.24 g/mol
Exact Mass347.07
IUPAC NameN-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)CI)(C3)C2
InChIInChI=1S/C14H22INO/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)16-11(17)6-15/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyCPXUWXCOYFNNBC-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(3,5-dimethyl-1-adamantyl)acetamide
CID 79997839
4-chloro-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]butanamide
CID 71514006
N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide
CID 98105097
2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide
CID 79999964
3-chloro-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
CID 79997650
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide
CID 172598055
N-(3,5-dimethyl-1-adamantyl)adamantane-1-carboxamide
CID 171577279
1-[(3,5-dimethyl-1-adamantyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79987587
3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
CID 79998241
1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea
CID 27233877
2-cyano-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
CID 79998257
(3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide
CID 81134526

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide?
The IUPAC name of N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide (CID 4606569) is N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide?
The canonical SMILES for N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide is CC12CC3CC(C)(C1)CC(NC(=O)CI)(C3)C2.
What is the InChIKey of N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide?
The InChIKey is CPXUWXCOYFNNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22INO/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)16-11(17)6-15/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide?
N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide has a molecular weight of 347.24 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide is sourced from PubChem (CID 4606569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).