N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide

C11H20BrNO3 — CID 114823373

IUPACN-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide
SMILESCOCCN(CCBr)C(=O)C1COC(C)C1
InChIInChI=1S/C11H20BrNO3/c1-9-7-10(8-16-9)11(14)13(4-3-12)5-6-15-2/h9-10H,3-8H2,1-2H3
InChIKeyYVTKYIRLFVIJKW-UHFFFAOYSA-N
MW294.19 g/mol
LogP1.28
Rot. Bonds6

About N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide

N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide (PubChem CID 114823373) has the molecular formula C11H20BrNO3 and a molecular weight of 294.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide
PubChem CID114823373
Molecular FormulaC11H20BrNO3
Molecular Weight294.19 g/mol
Exact Mass293.06
IUPAC NameN-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide
SMILESCOCCN(CCBr)C(=O)C1COC(C)C1
InChIInChI=1S/C11H20BrNO3/c1-9-7-10(8-16-9)11(14)13(4-3-12)5-6-15-2/h9-10H,3-8H2,1-2H3
InChIKeyYVTKYIRLFVIJKW-UHFFFAOYSA-N
XLogP1.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide (CID 114823373) is N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide is COCCN(CCBr)C(=O)C1COC(C)C1.
What is the InChIKey of N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide?
The InChIKey is YVTKYIRLFVIJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3/c1-9-7-10(8-16-9)11(14)13(4-3-12)5-6-15-2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide?
N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide has a molecular weight of 294.19 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114823373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).