N-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide

C13H22BrNO2 — CID 102872191

IUPACN-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C13H22BrNO2/c1-10-6-9-17-12(10)13(16)15(8-3-7-14)11-4-2-5-11/h10-12H,2-9H2,1H3
InChIKeyCUXDTTNWAMBFTG-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.58
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide

N-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide (PubChem CID 102872191) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide
PubChem CID102872191
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C13H22BrNO2/c1-10-6-9-17-12(10)13(16)15(8-3-7-14)11-4-2-5-11/h10-12H,2-9H2,1H3
InChIKeyCUXDTTNWAMBFTG-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide (CID 102872191) is N-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide?
The InChIKey is CUXDTTNWAMBFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c1-10-6-9-17-12(10)13(16)15(8-3-7-14)11-4-2-5-11/h10-12H,2-9H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide?
N-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide has a molecular weight of 304.23 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 102872191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).