3-bromo-N,N-diethyladamantane-1-carboxamide

C15H24BrNO — CID 3306503

IUPAC3-bromo-N,N-diethyladamantane-1-carboxamide
SMILESCCN(CC)C(=O)C12CC3CC(CC(Br)(C3)C1)C2
InChIInChI=1S/C15H24BrNO/c1-3-17(4-2)13(18)14-6-11-5-12(7-14)9-15(16,8-11)10-14/h11-12H,3-10H2,1-2H3
InChIKeyNSXBPGYYUUAXRM-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.59
Rot. Bonds3

About 3-bromo-N,N-diethyladamantane-1-carboxamide

3-bromo-N,N-diethyladamantane-1-carboxamide (PubChem CID 3306503) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 3-bromo-N,N-diethyladamantane-1-carboxamide.

Molecular Properties

Compound Name3-bromo-N,N-diethyladamantane-1-carboxamide
PubChem CID3306503
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name3-bromo-N,N-diethyladamantane-1-carboxamide
SMILESCCN(CC)C(=O)C12CC3CC(CC(Br)(C3)C1)C2
InChIInChI=1S/C15H24BrNO/c1-3-17(4-2)13(18)14-6-11-5-12(7-14)9-15(16,8-11)10-14/h11-12H,3-10H2,1-2H3
InChIKeyNSXBPGYYUUAXRM-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
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 3-bromo-N,N-diethyladamantane-1-carboxamide?
The IUPAC name of 3-bromo-N,N-diethyladamantane-1-carboxamide (CID 3306503) is 3-bromo-N,N-diethyladamantane-1-carboxamide.
What is the SMILES notation for 3-bromo-N,N-diethyladamantane-1-carboxamide?
The canonical SMILES for 3-bromo-N,N-diethyladamantane-1-carboxamide is CCN(CC)C(=O)C12CC3CC(CC(Br)(C3)C1)C2.
What is the InChIKey of 3-bromo-N,N-diethyladamantane-1-carboxamide?
The InChIKey is NSXBPGYYUUAXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-3-17(4-2)13(18)14-6-11-5-12(7-14)9-15(16,8-11)10-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-bromo-N,N-diethyladamantane-1-carboxamide?
3-bromo-N,N-diethyladamantane-1-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-diethyladamantane-1-carboxamide is sourced from PubChem (CID 3306503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).