2-bromo-N-(3,5-dimethylcyclohexyl)acetamide

C10H18BrNO — CID 64733863

IUPAC2-bromo-N-(3,5-dimethylcyclohexyl)acetamide
SMILESCC1CC(C)CC(NC(=O)CBr)C1
InChIInChI=1S/C10H18BrNO/c1-7-3-8(2)5-9(4-7)12-10(13)6-11/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyAJINDNMTRQLABZ-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.32
Rot. Bonds2

About 2-bromo-N-(3,5-dimethylcyclohexyl)acetamide

2-bromo-N-(3,5-dimethylcyclohexyl)acetamide (PubChem CID 64733863) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-bromo-N-(3,5-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(3,5-dimethylcyclohexyl)acetamide
PubChem CID64733863
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-bromo-N-(3,5-dimethylcyclohexyl)acetamide
SMILESCC1CC(C)CC(NC(=O)CBr)C1
InChIInChI=1S/C10H18BrNO/c1-7-3-8(2)5-9(4-7)12-10(13)6-11/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyAJINDNMTRQLABZ-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(3,5-dimethylcyclohexyl)-4,4-dimethylhexanamide
CID 65291109
2-(ethylamino)-N-(3-methylcyclobutyl)acetamide
CID 115739780
N-(3,5-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107030984
2-(azetidin-3-yl)-N-(3-methylcyclobutyl)acetamide
CID 115739761
2-chloro-N-(7-methyl-3-bicyclo[3.3.1]nonanyl)acetamide
CID 159210757
2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide
CID 114329140
N-(3,5-dimethylcyclohexyl)-2-piperidin-2-ylacetamide
CID 64734481
4-amino-N-(3-amino-5-methylcyclohexyl)butanamide
CID 143974251
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933
2-methyl-N-(3-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130668952
3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide
CID 107585044
N-(3-methylcyclobutyl)-3-piperidin-4-ylpropanamide
CID 115870640

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,5-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-bromo-N-(3,5-dimethylcyclohexyl)acetamide (CID 64733863) is 2-bromo-N-(3,5-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-bromo-N-(3,5-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-bromo-N-(3,5-dimethylcyclohexyl)acetamide is CC1CC(C)CC(NC(=O)CBr)C1.
What is the InChIKey of 2-bromo-N-(3,5-dimethylcyclohexyl)acetamide?
The InChIKey is AJINDNMTRQLABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-7-3-8(2)5-9(4-7)12-10(13)6-11/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-bromo-N-(3,5-dimethylcyclohexyl)acetamide?
2-bromo-N-(3,5-dimethylcyclohexyl)acetamide has a molecular weight of 248.16 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,5-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 64733863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).