N-(3,5-dimethyl-1-adamantyl)acetamide

C14H23NO — CID 5276209

IUPACN-(3,5-dimethyl-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16)
InChIKeyWVIRSYCDAYUOMJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.87
Rot. Bonds1

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

N-(3,5-dimethyl-1-adamantyl)acetamide (PubChem CID 5276209) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-adamantyl)acetamide
PubChem CID5276209
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(3,5-dimethyl-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16)
InChIKeyWVIRSYCDAYUOMJ-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.87
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)acetamide?
The IUPAC name of N-(3,5-dimethyl-1-adamantyl)acetamide (CID 5276209) is N-(3,5-dimethyl-1-adamantyl)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-adamantyl)acetamide?
The canonical SMILES for N-(3,5-dimethyl-1-adamantyl)acetamide is CC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-(3,5-dimethyl-1-adamantyl)acetamide?
The InChIKey is WVIRSYCDAYUOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(3,5-dimethyl-1-adamantyl)acetamide?
N-(3,5-dimethyl-1-adamantyl)acetamide has a molecular weight of 221.34 g/mol, XLogP of 2.87, 1 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)acetamide is sourced from PubChem (CID 5276209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).