N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide

C14H24BrNO2 — CID 114314618

IUPACN-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
SMILESCC1CCCC(CBr)(NC(=O)C2CCOC2C)C1
InChIInChI=1S/C14H24BrNO2/c1-10-4-3-6-14(8-10,9-15)16-13(17)12-5-7-18-11(12)2/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyYNRWFQHJODOURD-UHFFFAOYSA-N
MW318.26 g/mol
LogP2.87
Rot. Bonds3

About N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide

N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide (PubChem CID 114314618) has the molecular formula C14H24BrNO2 and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
PubChem CID114314618
Molecular FormulaC14H24BrNO2
Molecular Weight318.26 g/mol
Exact Mass317.10
IUPAC NameN-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
SMILESCC1CCCC(CBr)(NC(=O)C2CCOC2C)C1
InChIInChI=1S/C14H24BrNO2/c1-10-4-3-6-14(8-10,9-15)16-13(17)12-5-7-18-11(12)2/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyYNRWFQHJODOURD-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 52.87
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-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 79759322
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 114303934
N-[1-(bromomethyl)-3-methylcyclohexyl]oxolane-2-carboxamide
CID 114314670
2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid
CID 79760323
N-[1-(hydroxymethyl)cyclopropyl]-2-methyloxolane-3-carboxamide
CID 115885935
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 79758864
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-phenylcyclopropane-1-carboxamide
CID 114314615
N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide
CID 106829038
(2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 129374190
N-[1-(bromomethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894273
1-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79750991
tert-butyl N-[1-(bromomethyl)-3-methylcyclohexyl]carbamate
CID 114314705

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide (CID 114314618) is N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide is CC1CCCC(CBr)(NC(=O)C2CCOC2C)C1.
What is the InChIKey of N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide?
The InChIKey is YNRWFQHJODOURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO2/c1-10-4-3-6-14(8-10,9-15)16-13(17)12-5-7-18-11(12)2/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide?
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide has a molecular weight of 318.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 114314618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).