N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide

C13H24BrNO — CID 114313551

IUPACN-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
SMILESCC(CBr)CNC(=O)C1CCCCCCC1
InChIInChI=1S/C13H24BrNO/c1-11(9-14)10-15-13(16)12-7-5-3-2-4-6-8-12/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyDFNSDELNAPNYED-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.49
Rot. Bonds4

About N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide

N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide (PubChem CID 114313551) has the molecular formula C13H24BrNO and a molecular weight of 290.24 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
PubChem CID114313551
Molecular FormulaC13H24BrNO
Molecular Weight290.24 g/mol
Exact Mass289.10
IUPAC NameN-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
SMILESCC(CBr)CNC(=O)C1CCCCCCC1
InChIInChI=1S/C13H24BrNO/c1-11(9-14)10-15-13(16)12-7-5-3-2-4-6-8-12/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyDFNSDELNAPNYED-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
CID 114316713
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
N-(2-cyanopropyl)cyclooctanecarboxamide
CID 65018661
N-(3-bromo-2-methylpropyl)-3-cyclohexylpropanamide
CID 114313527
N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide
CID 106288109
N-(2-amino-4-methylpentyl)cyclooctanecarboxamide
CID 107158623
methyl 2-bromo-3-(cyclohexanecarbonylamino)propanoate
CID 103492560
methyl 2-bromo-3-(cyclooctanecarbonylamino)propanoate
CID 103492357
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide
CID 76948246

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide (CID 114313551) is N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide is CC(CBr)CNC(=O)C1CCCCCCC1.
What is the InChIKey of N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide?
The InChIKey is DFNSDELNAPNYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-11(9-14)10-15-13(16)12-7-5-3-2-4-6-8-12/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide?
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide has a molecular weight of 290.24 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide is sourced from PubChem (CID 114313551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).