N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide

C15H25NO — CID 5186800

IUPACN-[(3,5-dimethyl-1-adamantyl)methyl]acetamide
SMILESCC(=O)NCC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-11(17)16-10-15-6-12-4-13(2,8-15)7-14(3,5-12)9-15/h12H,4-10H2,1-3H3,(H,16,17)
InChIKeyFFKOXRCEJYKQOK-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.12
Rot. Bonds2

About N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide

N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide (PubChem CID 5186800) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-adamantyl)methyl]acetamide
PubChem CID5186800
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(3,5-dimethyl-1-adamantyl)methyl]acetamide
SMILESCC(=O)NCC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-11(17)16-10-15-6-12-4-13(2,8-15)7-14(3,5-12)9-15/h12H,4-10H2,1-3H3,(H,16,17)
InChIKeyFFKOXRCEJYKQOK-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide?
The IUPAC name of N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide (CID 5186800) is N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide?
The canonical SMILES for N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide is CC(=O)NCC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide?
The InChIKey is FFKOXRCEJYKQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(17)16-10-15-6-12-4-13(2,8-15)7-14(3,5-12)9-15/h12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide?
N-[(3,5-dimethyl-1-adamantyl)methyl]acetamide has a molecular weight of 235.37 g/mol, XLogP of 3.12, 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)methyl]acetamide is sourced from PubChem (CID 5186800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).