N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide

C10H18BrNO2 — CID 80671637

IUPACN-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide
SMILESCOCC(Br)CN(C)C(=O)C1CCC1
InChIInChI=1S/C10H18BrNO2/c1-12(6-9(11)7-14-2)10(13)8-4-3-5-8/h8-9H,3-7H2,1-2H3
InChIKeyBLGQZXHWFNHXFH-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.65
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide

N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide (PubChem CID 80671637) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide
PubChem CID80671637
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC NameN-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide
SMILESCOCC(Br)CN(C)C(=O)C1CCC1
InChIInChI=1S/C10H18BrNO2/c1-12(6-9(11)7-14-2)10(13)8-4-3-5-8/h8-9H,3-7H2,1-2H3
InChIKeyBLGQZXHWFNHXFH-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.65
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-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide (CID 80671637) is N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide is COCC(Br)CN(C)C(=O)C1CCC1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide?
The InChIKey is BLGQZXHWFNHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-12(6-9(11)7-14-2)10(13)8-4-3-5-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide?
N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide has a molecular weight of 264.16 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 80671637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).