2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide

C9H16BrNO2 — CID 82108842

IUPAC2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C)(Br)C(=O)NCC1CCCO1
InChIInChI=1S/C9H16BrNO2/c1-9(2,10)8(12)11-6-7-4-3-5-13-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyCXQKVUURCNGMNY-UHFFFAOYSA-N
MW250.14 g/mol
LogP1.46
Rot. Bonds3

About 2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide

2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 82108842) has the molecular formula C9H16BrNO2 and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID82108842
Molecular FormulaC9H16BrNO2
Molecular Weight250.14 g/mol
Exact Mass249.04
IUPAC Name2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C)(Br)C(=O)NCC1CCCO1
InChIInChI=1S/C9H16BrNO2/c1-9(2,10)8(12)11-6-7-4-3-5-13-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyCXQKVUURCNGMNY-UHFFFAOYSA-N
XLogP1.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119300308
2,2-dimethyl-3-(oxan-2-ylmethylamino)-3-oxopropanoic acid
CID 82820907
2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 113198023
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(oxolan-2-ylmethyl)hexanediamide
CID 4206975
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide
CID 108960054
3-(azepan-1-yl)-2,2-dimethyl-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108960062
2-carbamothioyl-2-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 114291851
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108960081
2-methyl-N-(oxolan-2-ylmethyl)-2,3-diphenylpropanamide
CID 110299379
1-[(2-hydroxy-2-methylpropanoyl)amino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 40645880
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide (CID 82108842) is 2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide is CC(C)(Br)C(=O)NCC1CCCO1.
What is the InChIKey of 2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is CXQKVUURCNGMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO2/c1-9(2,10)8(12)11-6-7-4-3-5-13-7/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 250.14 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 82108842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).