2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide

C10H18BrNO2 — CID 114756197

IUPAC2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCC1(CCO)CC1
InChIInChI=1S/C10H18BrNO2/c1-9(2,11)8(14)12-7-10(3-4-10)5-6-13/h13H,3-7H2,1-2H3,(H,12,14)
InChIKeyMIYMORXNLARQQK-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.44
Rot. Bonds5

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

2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide (PubChem CID 114756197) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide
PubChem CID114756197
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)NCC1(CCO)CC1
InChIInChI=1S/C10H18BrNO2/c1-9(2,11)8(14)12-7-10(3-4-10)5-6-13/h13H,3-7H2,1-2H3,(H,12,14)
InChIKeyMIYMORXNLARQQK-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.44
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

2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 114328802
2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 114328916
2-amino-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methylpentanamide
CID 119817843
2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide
CID 114751673
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2,2-dimethylbutanamide
CID 114758463
2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114756823
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
CID 114749715
2-(dimethylamino)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114757294
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxyacetamide
CID 114751101
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 114750427
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,4,6-trimethylbenzamide
CID 114751380

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide (CID 114756197) is 2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide is CC(C)(Br)C(=O)NCC1(CCO)CC1.
What is the InChIKey of 2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide?
The InChIKey is MIYMORXNLARQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-9(2,11)8(14)12-7-10(3-4-10)5-6-13/h13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide?
2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide has a molecular weight of 264.16 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 114756197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).