N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide

C11H20BrNO2 — CID 112604161

IUPACN-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC1CCCCC1Br
InChIInChI=1S/C11H20BrNO2/c1-8(2)15-7-11(14)13-10-6-4-3-5-9(10)12/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyVSLQACABIAADRA-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.23
Rot. Bonds4

About N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide

N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide (PubChem CID 112604161) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide
PubChem CID112604161
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC NameN-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC1CCCCC1Br
InChIInChI=1S/C11H20BrNO2/c1-8(2)15-7-11(14)13-10-6-4-3-5-9(10)12/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyVSLQACABIAADRA-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide 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-(2-methoxycyclopentyl)-2-propan-2-yloxyacetamide
CID 112699101
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
N-[(1S)-1-cyclohexylethyl]-2-propan-2-yloxyacetamide
CID 103940569
N-(2-bromocyclopentyl)-2-cycloheptylacetamide
CID 114458260
N-(2-bromocyclohexyl)heptanamide
CID 114754026
N-(4-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602525
2-methoxy-N-[2-[(2-methoxyacetyl)amino]cyclohexyl]acetamide
CID 54302346
N-(2-bromocyclopentyl)-2-cyclopropylacetamide
CID 80662940
N-(2-bromocyclopentyl)-2-cyclobutylacetamide
CID 103164390
N-(2-methylcyclohexyl)-3-propan-2-yloxypropanamide
CID 86929317
N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide
CID 97245059
N-(1-cyclobutylethyl)-2-propan-2-yloxyacetamide
CID 115769012

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide (CID 112604161) is N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NC1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide?
The InChIKey is VSLQACABIAADRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-8(2)15-7-11(14)13-10-6-4-3-5-9(10)12/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide?
N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide has a molecular weight of 278.19 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112604161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).