2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide

C10H18BrNO2 — CID 130915014

IUPAC2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(C)Br)CCOC1
InChIInChI=1S/C10H18BrNO2/c1-9(2,11)8(13)12-6-10(3)4-5-14-7-10/h4-7H2,1-3H3,(H,12,13)
InChIKeyVAOKAQWTSZWSRB-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.70
Rot. Bonds3

About 2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide

2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide (PubChem CID 130915014) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide
PubChem CID130915014
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(C)Br)CCOC1
InChIInChI=1S/C10H18BrNO2/c1-9(2,11)8(13)12-6-10(3)4-5-14-7-10/h4-7H2,1-3H3,(H,12,13)
InChIKeyVAOKAQWTSZWSRB-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.70
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

2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757238
2,2-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 169995703
2,2-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]propanamide
CID 169995705
2-bromo-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 60920669
2-bromo-N-(oxolan-3-ylmethyl)butanamide
CID 62856744
2-bromo-N-(4-methoxybutyl)-2-methylpropanamide
CID 82109835
2-bromo-N-(4-ethoxybutyl)-2-methylpropanamide
CID 82110486
2-bromo-N-(3-butoxypropyl)-2-methylpropanamide
CID 93812754
2-bromo-2-methyl-N-[(2-methyloxolan-3-yl)methyl]propanamide
CID 105735234
2-bromo-N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 105889473
2-bromo-N-(4-methoxy-2,2-dimethylbutyl)propanamide
CID 105889482
2-bromo-N-(4-methoxy-2,2-dimethylbutyl)butanamide
CID 105889491

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide (CID 130915014) is 2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide is CC1(CNC(=O)C(C)(C)Br)CCOC1.
What is the InChIKey of 2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide?
The InChIKey is VAOKAQWTSZWSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-9(2,11)8(13)12-6-10(3)4-5-14-7-10/h4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide?
2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide has a molecular weight of 264.16 g/mol, XLogP of 1.70, 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-[(3-methyloxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 130915014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).