N-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide

C20H31NO — CID 43022703

IUPACN-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide
SMILESCCC(NC(=O)CC1C=CCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31NO/c1-2-18(21-19(22)10-14-5-3-4-6-14)20-11-15-7-16(12-20)9-17(8-15)13-20/h3,5,14-18H,2,4,6-13H2,1H3,(H,21,22)
InChIKeyNLGGYOWEYQKNGW-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.45
Rot. Bonds5

About N-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide

N-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide (PubChem CID 43022703) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide
PubChem CID43022703
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide
SMILESCCC(NC(=O)CC1C=CCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31NO/c1-2-18(21-19(22)10-14-5-3-4-6-14)20-11-15-7-16(12-20)9-17(8-15)13-20/h3,5,14-18H,2,4,6-13H2,1H3,(H,21,22)
InChIKeyNLGGYOWEYQKNGW-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.45
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-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide (CID 43022703) is N-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide is CCC(NC(=O)CC1C=CCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is NLGGYOWEYQKNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-2-18(21-19(22)10-14-5-3-4-6-14)20-11-15-7-16(12-20)9-17(8-15)13-20/h3,5,14-18H,2,4,6-13H2,1H3,(H,21,22).
What are the key properties of N-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide?
N-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 301.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 43022703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).