2-bromo-N-(oxolan-2-ylmethyl)hexanamide

C11H20BrNO2 — CID 110839202

IUPAC2-bromo-N-(oxolan-2-ylmethyl)hexanamide
SMILESCCCCC(Br)C(=O)NCC1CCCO1
InChIInChI=1S/C11H20BrNO2/c1-2-3-6-10(12)11(14)13-8-9-5-4-7-15-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyAOSZUFRALQAXMQ-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.24
Rot. Bonds6

About 2-bromo-N-(oxolan-2-ylmethyl)hexanamide

2-bromo-N-(oxolan-2-ylmethyl)hexanamide (PubChem CID 110839202) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-bromo-N-(oxolan-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name2-bromo-N-(oxolan-2-ylmethyl)hexanamide
PubChem CID110839202
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name2-bromo-N-(oxolan-2-ylmethyl)hexanamide
SMILESCCCCC(Br)C(=O)NCC1CCCO1
InChIInChI=1S/C11H20BrNO2/c1-2-3-6-10(12)11(14)13-8-9-5-4-7-15-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyAOSZUFRALQAXMQ-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 94882952
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 62856863
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
2-(oxan-2-ylmethylamino)hexanoic acid
CID 103243520
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide
CID 108960054

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(oxolan-2-ylmethyl)hexanamide?
The IUPAC name of 2-bromo-N-(oxolan-2-ylmethyl)hexanamide (CID 110839202) is 2-bromo-N-(oxolan-2-ylmethyl)hexanamide.
What is the SMILES notation for 2-bromo-N-(oxolan-2-ylmethyl)hexanamide?
The canonical SMILES for 2-bromo-N-(oxolan-2-ylmethyl)hexanamide is CCCCC(Br)C(=O)NCC1CCCO1.
What is the InChIKey of 2-bromo-N-(oxolan-2-ylmethyl)hexanamide?
The InChIKey is AOSZUFRALQAXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-2-3-6-10(12)11(14)13-8-9-5-4-7-15-9/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(oxolan-2-ylmethyl)hexanamide?
2-bromo-N-(oxolan-2-ylmethyl)hexanamide has a molecular weight of 278.19 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(oxolan-2-ylmethyl)hexanamide is sourced from PubChem (CID 110839202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).