N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide

C13H24BrNO2 — CID 106118076

IUPACN-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
SMILESCCCC(CCBr)CNC(=O)CC1CCCO1
InChIInChI=1S/C13H24BrNO2/c1-2-4-11(6-7-14)10-15-13(16)9-12-5-3-8-17-12/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyJGXCWJHUYDVSMY-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.87
Rot. Bonds8

About N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide

N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide (PubChem CID 106118076) has the molecular formula C13H24BrNO2 and a molecular weight of 306.24 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
PubChem CID106118076
Molecular FormulaC13H24BrNO2
Molecular Weight306.24 g/mol
Exact Mass305.10
IUPAC NameN-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
SMILESCCCC(CCBr)CNC(=O)CC1CCCO1
InChIInChI=1S/C13H24BrNO2/c1-2-4-11(6-7-14)10-15-13(16)9-12-5-3-8-17-12/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyJGXCWJHUYDVSMY-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.87
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

N-[2-(2-aminoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106116037
4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid
CID 65157479
N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide
CID 106117578
N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
CID 107321758
(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 107833848
N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide
CID 106157924
N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide
CID 114317695
N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide
CID 106143879
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-[(2R)-4-methyl-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]pentyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95333344
N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide
CID 106117955
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide
CID 77057841

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide (CID 106118076) is N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide is CCCC(CCBr)CNC(=O)CC1CCCO1.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is JGXCWJHUYDVSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2/c1-2-4-11(6-7-14)10-15-13(16)9-12-5-3-8-17-12/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide?
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 306.24 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 106118076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).