N-(1-adamantyl)-7-bromoheptanamide

C17H28BrNO — CID 152700467

IUPACN-(1-adamantyl)-7-bromoheptanamide
SMILESO=C(CCCCCCBr)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28BrNO/c18-6-4-2-1-3-5-16(20)19-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2,(H,19,20)
InChIKeyZRLSSJSPUARXQV-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.42
Rot. Bonds7

About N-(1-adamantyl)-7-bromoheptanamide

N-(1-adamantyl)-7-bromoheptanamide (PubChem CID 152700467) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is N-(1-adamantyl)-7-bromoheptanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-7-bromoheptanamide
PubChem CID152700467
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC NameN-(1-adamantyl)-7-bromoheptanamide
SMILESO=C(CCCCCCBr)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28BrNO/c18-6-4-2-1-3-5-16(20)19-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2,(H,19,20)
InChIKeyZRLSSJSPUARXQV-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-7-bromoheptanamide?
The IUPAC name of N-(1-adamantyl)-7-bromoheptanamide (CID 152700467) is N-(1-adamantyl)-7-bromoheptanamide.
What is the SMILES notation for N-(1-adamantyl)-7-bromoheptanamide?
The canonical SMILES for N-(1-adamantyl)-7-bromoheptanamide is O=C(CCCCCCBr)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-7-bromoheptanamide?
The InChIKey is ZRLSSJSPUARXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c18-6-4-2-1-3-5-16(20)19-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2,(H,19,20).
What are the key properties of N-(1-adamantyl)-7-bromoheptanamide?
N-(1-adamantyl)-7-bromoheptanamide has a molecular weight of 342.32 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-7-bromoheptanamide is sourced from PubChem (CID 152700467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).