N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide

C11H20BrNO2 — CID 106158020

IUPACN-(5-bromo-4-methylpentyl)oxolane-2-carboxamide
SMILESCC(CBr)CCCNC(=O)C1CCCO1
InChIInChI=1S/C11H20BrNO2/c1-9(8-12)4-2-6-13-11(14)10-5-3-7-15-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyATTZDKSAEIHMFC-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.09
Rot. Bonds6

About N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide

N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide (PubChem CID 106158020) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)oxolane-2-carboxamide
PubChem CID106158020
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC NameN-(5-bromo-4-methylpentyl)oxolane-2-carboxamide
SMILESCC(CBr)CCCNC(=O)C1CCCO1
InChIInChI=1S/C11H20BrNO2/c1-9(8-12)4-2-6-13-11(14)10-5-3-7-15-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyATTZDKSAEIHMFC-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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'}

Analyze N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(5-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103861771
N-(5-bromo-4-methylpentyl)-1,4-dioxane-2-carboxamide
CID 106157418
N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide
CID 106157924
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65037062
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
(2R)-N-[2-methyl-3-(methylamino)propyl]oxolane-2-carboxamide
CID 104856434
6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 30112632

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide (CID 106158020) is N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide is CC(CBr)CCCNC(=O)C1CCCO1.
What is the InChIKey of N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide?
The InChIKey is ATTZDKSAEIHMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-9(8-12)4-2-6-13-11(14)10-5-3-7-15-10/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide?
N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide has a molecular weight of 278.19 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide is sourced from PubChem (CID 106158020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).