2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide

C11H20BrNO2 — CID 102631757

IUPAC2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)Br)C1CCCCC1O
InChIInChI=1S/C11H20BrNO2/c1-11(2,12)10(15)13(3)8-6-4-5-7-9(8)14/h8-9,14H,4-7H2,1-3H3
InChIKeyOWFAYISXQMHJDQ-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.92
Rot. Bonds2

About 2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide

2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide (PubChem CID 102631757) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide
PubChem CID102631757
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)Br)C1CCCCC1O
InChIInChI=1S/C11H20BrNO2/c1-11(2,12)10(15)13(3)8-6-4-5-7-9(8)14/h8-9,14H,4-7H2,1-3H3
InChIKeyOWFAYISXQMHJDQ-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide 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

2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide
CID 102632097
3-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102632066
2-tert-butylsulfanyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102635096
(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102631964
tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid
CID 69297604
2-cyclobutyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 103164780
N-(2-hydroxycyclohexyl)-2-methoxy-N-methylacetamide
CID 102634610
2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 102631714
2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102635605
3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 102631700
2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791
2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 91767128

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide (CID 102631757) is 2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)Br)C1CCCCC1O.
What is the InChIKey of 2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide?
The InChIKey is OWFAYISXQMHJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-11(2,12)10(15)13(3)8-6-4-5-7-9(8)14/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide?
2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide has a molecular weight of 278.19 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 102631757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).