N-(1-adamantyl)-2-methoxy-2-methylpropanamide

C15H25NO2 — CID 12839089

IUPACN-(1-adamantyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-14(2,18-3)13(17)16-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyUBSNQIXEYSWABY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.50
Rot. Bonds3

About N-(1-adamantyl)-2-methoxy-2-methylpropanamide

N-(1-adamantyl)-2-methoxy-2-methylpropanamide (PubChem CID 12839089) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-adamantyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-methoxy-2-methylpropanamide
PubChem CID12839089
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(1-adamantyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO2/c1-14(2,18-3)13(17)16-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyUBSNQIXEYSWABY-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(1-adamantyl)-2-methoxy-2-methylpropanamide (CID 12839089) is N-(1-adamantyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(1-adamantyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(1-adamantyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-methoxy-2-methylpropanamide?
The InChIKey is UBSNQIXEYSWABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2,18-3)13(17)16-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-(1-adamantyl)-2-methoxy-2-methylpropanamide?
N-(1-adamantyl)-2-methoxy-2-methylpropanamide has a molecular weight of 251.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 12839089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).