2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide

C11H18BrNO2 — CID 130505200

IUPAC2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
SMILESCC(C)(Br)C(=O)NCC1CC2CCC1O2
InChIInChI=1S/C11H18BrNO2/c1-11(2,12)10(14)13-6-7-5-8-3-4-9(7)15-8/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyQKNVDYJWKMPSNM-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.84
Rot. Bonds3

About 2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide

2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide (PubChem CID 130505200) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
PubChem CID130505200
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
SMILESCC(C)(Br)C(=O)NCC1CC2CCC1O2
InChIInChI=1S/C11H18BrNO2/c1-11(2,12)10(14)13-6-7-5-8-3-4-9(7)15-8/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyQKNVDYJWKMPSNM-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.84
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

3,3-dimethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-5-oxopentanoic acid
CID 113235529
2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
CID 130164935
3-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)prop-2-ynamide
CID 130618601
2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide
CID 114267337
methyl 2-[(1R,2R)-7-oxabicyclo[2.2.1]heptan-2-yl]acetate
CID 130359597
(2S)-N-[[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 98847708
2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)benzoic acid
CID 114267362
2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide
CID 106127935
3-fluoro-4-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)benzoic acid
CID 114267437
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842
methyl 5-bromo-2-[[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methylamino]pyridine-3-carboxylate
CID 167804020
4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline
CID 166235895

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide (CID 130505200) is 2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide is CC(C)(Br)C(=O)NCC1CC2CCC1O2.
What is the InChIKey of 2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide?
The InChIKey is QKNVDYJWKMPSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-11(2,12)10(14)13-6-7-5-8-3-4-9(7)15-8/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide?
2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide has a molecular weight of 276.17 g/mol, XLogP of 1.84, 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-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide is sourced from PubChem (CID 130505200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).