N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide

C15H26BrNO2 — CID 114312352

IUPACN-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC2CCCCC2Br)C1C
InChIInChI=1S/C15H26BrNO2/c1-9-10(2)19-11(3)14(9)15(18)17-8-12-6-4-5-7-13(12)16/h9-14H,4-8H2,1-3H3,(H,17,18)
InChIKeyAOEYYWUWJUSLOA-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.12
Rot. Bonds3

About N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide

N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 114312352) has the molecular formula C15H26BrNO2 and a molecular weight of 332.28 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID114312352
Molecular FormulaC15H26BrNO2
Molecular Weight332.28 g/mol
Exact Mass331.11
IUPAC NameN-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC2CCCCC2Br)C1C
InChIInChI=1S/C15H26BrNO2/c1-9-10(2)19-11(3)14(9)15(18)17-8-12-6-4-5-7-13(12)16/h9-14H,4-8H2,1-3H3,(H,17,18)
InChIKeyAOEYYWUWJUSLOA-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.12
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-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 113272704
N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160273
N-[(2-bromocyclohexyl)methyl]-5-methyloxolane-2-carboxamide
CID 114312330
N-[(2-bromocyclohexyl)methyl]acetamide
CID 114312171
N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 106127006
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160521
N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 106365810
N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide
CID 114312233
N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide
CID 114313897
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide (CID 114312352) is N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCC2CCCCC2Br)C1C.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is AOEYYWUWJUSLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO2/c1-9-10(2)19-11(3)14(9)15(18)17-8-12-6-4-5-7-13(12)16/h9-14H,4-8H2,1-3H3,(H,17,18).
What are the key properties of N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 332.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 114312352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).