N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide

C11H20BrNO2 — CID 107321758

IUPACN-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCCCCCBr
InChIInChI=1S/C11H20BrNO2/c12-6-2-1-3-7-13-11(14)9-10-5-4-8-15-10/h10H,1-9H2,(H,13,14)
InChIKeyXNHFGALWIOYDKY-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.24
Rot. Bonds7

About N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide

N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide (PubChem CID 107321758) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
PubChem CID107321758
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC NameN-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCCCCCBr
InChIInChI=1S/C11H20BrNO2/c12-6-2-1-3-7-13-11(14)9-10-5-4-8-15-10/h10H,1-9H2,(H,13,14)
InChIKeyXNHFGALWIOYDKY-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide
CID 106157924
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
N-(5-bromopentyl)-2-cyclobutylacetamide
CID 107322053
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
N-(4-azidobutyl)-2-(oxan-2-yl)acetamide
CID 106386601
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide
CID 106143879
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide
CID 65160094
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide (CID 107321758) is N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)NCCCCCBr.
What is the InChIKey of N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is XNHFGALWIOYDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c12-6-2-1-3-7-13-11(14)9-10-5-4-8-15-10/h10H,1-9H2,(H,13,14).
What are the key properties of N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide?
N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 278.19 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 107321758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).