N-(3-ethyl-1-adamantyl)acetamide

C14H23NO — CID 12910651

IUPACN-(3-ethyl-1-adamantyl)acetamide
SMILESCCC12CC3CC(C1)CC(NC(C)=O)(C3)C2
InChIInChI=1S/C14H23NO/c1-3-13-5-11-4-12(6-13)8-14(7-11,9-13)15-10(2)16/h11-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyIIIGNDWJCSSUHP-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.87
Rot. Bonds2

About N-(3-ethyl-1-adamantyl)acetamide

N-(3-ethyl-1-adamantyl)acetamide (PubChem CID 12910651) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(3-ethyl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-1-adamantyl)acetamide
PubChem CID12910651
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(3-ethyl-1-adamantyl)acetamide
SMILESCCC12CC3CC(C1)CC(NC(C)=O)(C3)C2
InChIInChI=1S/C14H23NO/c1-3-13-5-11-4-12(6-13)8-14(7-11,9-13)15-10(2)16/h11-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyIIIGNDWJCSSUHP-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-ethyl-1-adamantyl)acetamide?
The IUPAC name of N-(3-ethyl-1-adamantyl)acetamide (CID 12910651) is N-(3-ethyl-1-adamantyl)acetamide.
What is the SMILES notation for N-(3-ethyl-1-adamantyl)acetamide?
The canonical SMILES for N-(3-ethyl-1-adamantyl)acetamide is CCC12CC3CC(C1)CC(NC(C)=O)(C3)C2.
What is the InChIKey of N-(3-ethyl-1-adamantyl)acetamide?
The InChIKey is IIIGNDWJCSSUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-13-5-11-4-12(6-13)8-14(7-11,9-13)15-10(2)16/h11-12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-(3-ethyl-1-adamantyl)acetamide?
N-(3-ethyl-1-adamantyl)acetamide has a molecular weight of 221.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-adamantyl)acetamide is sourced from PubChem (CID 12910651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).