N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide

C13H24BrNO2 — CID 106118030

IUPACN-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide
SMILESCCCC(CCBr)CNC(=O)C1CCOC1C
InChIInChI=1S/C13H24BrNO2/c1-3-4-11(5-7-14)9-15-13(16)12-6-8-17-10(12)2/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyZQXMLTDKFZGYQZ-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.73
Rot. Bonds7

About N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide

N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide (PubChem CID 106118030) has the molecular formula C13H24BrNO2 and a molecular weight of 306.24 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide
PubChem CID106118030
Molecular FormulaC13H24BrNO2
Molecular Weight306.24 g/mol
Exact Mass305.10
IUPAC NameN-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide
SMILESCCCC(CCBr)CNC(=O)C1CCOC1C
InChIInChI=1S/C13H24BrNO2/c1-3-4-11(5-7-14)9-15-13(16)12-6-8-17-10(12)2/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyZQXMLTDKFZGYQZ-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.73
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-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide
CID 106117840
2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid
CID 79758556
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106118076
methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate
CID 103493206
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229
N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide
CID 106145624
2-methyl-N-prop-2-ynyloxolane-3-carboxamide
CID 79762562
N-[(4-bromocyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 106134904
N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide
CID 79760131
(2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide
CID 103873564
2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 79750914

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide (CID 106118030) is N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide is CCCC(CCBr)CNC(=O)C1CCOC1C.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide?
The InChIKey is ZQXMLTDKFZGYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2/c1-3-4-11(5-7-14)9-15-13(16)12-6-8-17-10(12)2/h10-12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide?
N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide has a molecular weight of 306.24 g/mol, XLogP of 2.73, 7 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-methyloxolane-3-carboxamide is sourced from PubChem (CID 106118030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).