2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide

C11H20BrNO2 — CID 114328802

IUPAC2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C11H20BrNO2/c1-10(2,12)9(14)13-8-11(15)6-4-3-5-7-11/h15H,3-8H2,1-2H3,(H,13,14)
InChIKeyHACARIUAEZFKCB-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.97
Rot. Bonds3

About 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide

2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide (PubChem CID 114328802) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
PubChem CID114328802
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C11H20BrNO2/c1-10(2,12)9(14)13-8-11(15)6-4-3-5-7-11/h15H,3-8H2,1-2H3,(H,13,14)
InChIKeyHACARIUAEZFKCB-UHFFFAOYSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
CID 56793427
2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide
CID 79811142
N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111538987
2-amino-2-cyclopropyl-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 65122341
2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 114328916
2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
CID 65122706
2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide
CID 114756197
2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 111446209
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 111445600
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide (CID 114328802) is 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide is CC(C)(Br)C(=O)NCC1(O)CCCCC1.
What is the InChIKey of 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The InChIKey is HACARIUAEZFKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-10(2,12)9(14)13-8-11(15)6-4-3-5-7-11/h15H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide has a molecular weight of 278.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 114328802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).