N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide

C17H25NO — CID 18196496

IUPACN-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25NO/c19-16(8-12-3-1-2-4-12)18-17-9-13-5-14(10-17)7-15(6-13)11-17/h1,3,12-15H,2,4-11H2,(H,18,19)
InChIKeyDVPYKOJVJBVSEI-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.43
Rot. Bonds3

About N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide

N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 18196496) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID18196496
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25NO/c19-16(8-12-3-1-2-4-12)18-17-9-13-5-14(10-17)7-15(6-13)11-17/h1,3,12-15H,2,4-11H2,(H,18,19)
InChIKeyDVPYKOJVJBVSEI-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide (CID 18196496) is N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is DVPYKOJVJBVSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-16(8-12-3-1-2-4-12)18-17-9-13-5-14(10-17)7-15(6-13)11-17/h1,3,12-15H,2,4-11H2,(H,18,19).
What are the key properties of N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide?
N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 259.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 18196496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).