N-(3,5,7-trimethyl-1-adamantyl)acetamide

C15H25NO — CID 2802835

IUPACN-(3,5,7-trimethyl-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3(C)CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-11(17)16-15-8-12(2)5-13(3,9-15)7-14(4,6-12)10-15/h5-10H2,1-4H3,(H,16,17)
InChIKeyDUJGMCOJTDEROR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.26
Rot. Bonds1

About N-(3,5,7-trimethyl-1-adamantyl)acetamide

N-(3,5,7-trimethyl-1-adamantyl)acetamide (PubChem CID 2802835) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(3,5,7-trimethyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(3,5,7-trimethyl-1-adamantyl)acetamide
PubChem CID2802835
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(3,5,7-trimethyl-1-adamantyl)acetamide
SMILESCC(=O)NC12CC3(C)CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-11(17)16-15-8-12(2)5-13(3,9-15)7-14(4,6-12)10-15/h5-10H2,1-4H3,(H,16,17)
InChIKeyDUJGMCOJTDEROR-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,5,7-trimethyl-1-adamantyl)acetamide?
The IUPAC name of N-(3,5,7-trimethyl-1-adamantyl)acetamide (CID 2802835) is N-(3,5,7-trimethyl-1-adamantyl)acetamide.
What is the SMILES notation for N-(3,5,7-trimethyl-1-adamantyl)acetamide?
The canonical SMILES for N-(3,5,7-trimethyl-1-adamantyl)acetamide is CC(=O)NC12CC3(C)CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-(3,5,7-trimethyl-1-adamantyl)acetamide?
The InChIKey is DUJGMCOJTDEROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(17)16-15-8-12(2)5-13(3,9-15)7-14(4,6-12)10-15/h5-10H2,1-4H3,(H,16,17).
What are the key properties of N-(3,5,7-trimethyl-1-adamantyl)acetamide?
N-(3,5,7-trimethyl-1-adamantyl)acetamide has a molecular weight of 235.37 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,7-trimethyl-1-adamantyl)acetamide is sourced from PubChem (CID 2802835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).