N-(4-bromobutyl)oxane-2-carboxamide

C10H18BrNO2 — CID 106845688

IUPACN-(4-bromobutyl)oxane-2-carboxamide
SMILESO=C(NCCCCBr)C1CCCCO1
InChIInChI=1S/C10H18BrNO2/c11-6-2-3-7-12-10(13)9-5-1-4-8-14-9/h9H,1-8H2,(H,12,13)
InChIKeyQGEZPFLBOYCYPI-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.85
Rot. Bonds5

About N-(4-bromobutyl)oxane-2-carboxamide

N-(4-bromobutyl)oxane-2-carboxamide (PubChem CID 106845688) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is N-(4-bromobutyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromobutyl)oxane-2-carboxamide
PubChem CID106845688
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC NameN-(4-bromobutyl)oxane-2-carboxamide
SMILESO=C(NCCCCBr)C1CCCCO1
InChIInChI=1S/C10H18BrNO2/c11-6-2-3-7-12-10(13)9-5-1-4-8-14-9/h9H,1-8H2,(H,12,13)
InChIKeyQGEZPFLBOYCYPI-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-(3-cyanopropyl)oxane-2-carboxamide
CID 62667376
6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 30112632
N-(6-bromohexyl)-1,4-dioxane-2-carboxamide
CID 107847920
methyl 6-(oxolane-2-carbonylamino)hexanoate
CID 43404498
N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide
CID 106158020
N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide
CID 62667262
N-(4-bromobutyl)oxane-4-carboxamide
CID 106845809
N-(4-bromobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106845738
N-[2-(2-hydroxyethoxy)ethyl]oxane-2-carboxamide
CID 62498272
ethyl 4-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103872319
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)oxane-2-carboxamide?
The IUPAC name of N-(4-bromobutyl)oxane-2-carboxamide (CID 106845688) is N-(4-bromobutyl)oxane-2-carboxamide.
What is the SMILES notation for N-(4-bromobutyl)oxane-2-carboxamide?
The canonical SMILES for N-(4-bromobutyl)oxane-2-carboxamide is O=C(NCCCCBr)C1CCCCO1.
What is the InChIKey of N-(4-bromobutyl)oxane-2-carboxamide?
The InChIKey is QGEZPFLBOYCYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c11-6-2-3-7-12-10(13)9-5-1-4-8-14-9/h9H,1-8H2,(H,12,13).
What are the key properties of N-(4-bromobutyl)oxane-2-carboxamide?
N-(4-bromobutyl)oxane-2-carboxamide has a molecular weight of 264.16 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)oxane-2-carboxamide is sourced from PubChem (CID 106845688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).