N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide

C11H20BrNO2 — CID 106169618

IUPACN-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide
SMILESCCC(C)(CCBr)NC(=O)C1CCCO1
InChIInChI=1S/C11H20BrNO2/c1-3-11(2,6-7-12)13-10(14)9-5-4-8-15-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyHBQPSTQEEHPDMD-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.24
Rot. Bonds5

About N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide

N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide (PubChem CID 106169618) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide
PubChem CID106169618
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide
SMILESCCC(C)(CCBr)NC(=O)C1CCCO1
InChIInChI=1S/C11H20BrNO2/c1-3-11(2,6-7-12)13-10(14)9-5-4-8-15-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyHBQPSTQEEHPDMD-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 104856124
N-(1-bromo-3-methylpentan-3-yl)oxane-4-carboxamide
CID 106169351
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide
CID 103890903
N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 106169068
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
CID 107846708
N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide
CID 63766692
tert-butyl N-[2-ethyl-2-[[(2S)-oxolane-2-carbonyl]amino]butyl]carbamate
CID 95331048
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855932
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide (CID 106169618) is N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide is CCC(C)(CCBr)NC(=O)C1CCCO1.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide?
The InChIKey is HBQPSTQEEHPDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-3-11(2,6-7-12)13-10(14)9-5-4-8-15-9/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide?
N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide has a molecular weight of 278.19 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 106169618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).