N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide

C11H20BrNO3 — CID 80670454

IUPACN-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide
SMILESCOCC(Br)CN(C)C(=O)C1(C)CCCO1
InChIInChI=1S/C11H20BrNO3/c1-11(5-4-6-16-11)10(14)13(2)7-9(12)8-15-3/h9H,4-8H2,1-3H3
InChIKeyRRRFULPQYKZDLU-UHFFFAOYSA-N
MW294.19 g/mol
LogP1.42
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide

N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide (PubChem CID 80670454) has the molecular formula C11H20BrNO3 and a molecular weight of 294.19 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide
PubChem CID80670454
Molecular FormulaC11H20BrNO3
Molecular Weight294.19 g/mol
Exact Mass293.06
IUPAC NameN-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide
SMILESCOCC(Br)CN(C)C(=O)C1(C)CCCO1
InChIInChI=1S/C11H20BrNO3/c1-11(5-4-6-16-11)10(14)13(2)7-9(12)8-15-3/h9H,4-8H2,1-3H3
InChIKeyRRRFULPQYKZDLU-UHFFFAOYSA-N
XLogP1.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 51.42
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-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide (CID 80670454) is N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide is COCC(Br)CN(C)C(=O)C1(C)CCCO1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide?
The InChIKey is RRRFULPQYKZDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3/c1-11(5-4-6-16-11)10(14)13(2)7-9(12)8-15-3/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide?
N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide has a molecular weight of 294.19 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-N,2-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 80670454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).