2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide

C17H26BrNO — CID 3432018

IUPAC2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide
SMILESO=C(CC12CC3CC(CC(Br)(C3)C1)C2)NC1CCCC1
InChIInChI=1S/C17H26BrNO/c18-17-8-12-5-13(9-17)7-16(6-12,11-17)10-15(20)19-14-3-1-2-4-14/h12-14H,1-11H2,(H,19,20)
InChIKeyZPBBYWARRDVCMA-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.17
Rot. Bonds3

About 2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide

2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide (PubChem CID 3432018) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide
PubChem CID3432018
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide
SMILESO=C(CC12CC3CC(CC(Br)(C3)C1)C2)NC1CCCC1
InChIInChI=1S/C17H26BrNO/c18-17-8-12-5-13(9-17)7-16(6-12,11-17)10-15(20)19-14-3-1-2-4-14/h12-14H,1-11H2,(H,19,20)
InChIKeyZPBBYWARRDVCMA-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide?
The IUPAC name of 2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide (CID 3432018) is 2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide is O=C(CC12CC3CC(CC(Br)(C3)C1)C2)NC1CCCC1.
What is the InChIKey of 2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide?
The InChIKey is ZPBBYWARRDVCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c18-17-8-12-5-13(9-17)7-16(6-12,11-17)10-15(20)19-14-3-1-2-4-14/h12-14H,1-11H2,(H,19,20).
What are the key properties of 2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide?
2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide has a molecular weight of 340.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-adamantyl)-N-cyclopentylacetamide is sourced from PubChem (CID 3432018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).