2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide

C11H22BrNO2 — CID 114328153

IUPAC2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
SMILESCOCCN(CC(C)C)C(=O)C(C)(C)Br
InChIInChI=1S/C11H22BrNO2/c1-9(2)8-13(6-7-15-5)10(14)11(3,4)12/h9H,6-8H2,1-5H3
InChIKeyCYOZYBHGURHFSV-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.29
Rot. Bonds6

About 2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide

2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 114328153) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID114328153
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC Name2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
SMILESCOCCN(CC(C)C)C(=O)C(C)(C)Br
InChIInChI=1S/C11H22BrNO2/c1-9(2)8-13(6-7-15-5)10(14)11(3,4)12/h9H,6-8H2,1-5H3
InChIKeyCYOZYBHGURHFSV-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
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-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 114329141
N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
CID 79886466
2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide
CID 114328513
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162971
N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide
CID 112725970
ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate
CID 114328195
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 62473959
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)butanamide
CID 78854118
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897540
2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 79257428
3-amino-N,N-bis(2-methoxyethyl)-2,2,3-trimethylbutanamide
CID 65264293

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide (CID 114328153) is 2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide is COCCN(CC(C)C)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is CYOZYBHGURHFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-9(2)8-13(6-7-15-5)10(14)11(3,4)12/h9H,6-8H2,1-5H3.
What are the key properties of 2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide?
2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 280.21 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 114328153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).