N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide

C14H24BrNO2 — CID 106367342

IUPACN-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NC1CCCCC1CBr
InChIInChI=1S/C14H24BrNO2/c1-2-13-11(7-8-18-13)14(17)16-12-6-4-3-5-10(12)9-15/h10-13H,2-9H2,1H3,(H,16,17)
InChIKeyKAKPDDGVVNEVSN-UHFFFAOYSA-N
MW318.26 g/mol
LogP2.87
Rot. Bonds4

About N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide

N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide (PubChem CID 106367342) has the molecular formula C14H24BrNO2 and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide
PubChem CID106367342
Molecular FormulaC14H24BrNO2
Molecular Weight318.26 g/mol
Exact Mass317.10
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NC1CCCCC1CBr
InChIInChI=1S/C14H24BrNO2/c1-2-13-11(7-8-18-13)14(17)16-12-6-4-3-5-10(12)9-15/h10-13H,2-9H2,1H3,(H,16,17)
InChIKeyKAKPDDGVVNEVSN-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 106366495
N-[2-(chloromethyl)cyclopentyl]-2-methyloxolane-3-carboxamide
CID 106365998
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
N-[2-(bromomethyl)cyclohexyl]pentanamide
CID 106367298
N-(4-bromo-2,2-dimethylbutyl)-2-ethyloxolane-3-carboxamide
CID 106143568
N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 106367229
2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide
CID 114104231
N-[2-(bromomethyl)cyclohexyl]-3,3-difluorocyclopentane-1-carboxamide
CID 114226705
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-propylcyclohexyl]cyclopropane-1-carboxamide
CID 124840040
2-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
CID 82728576
2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide
CID 114104255

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide (CID 106367342) is N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide is CCC1OCCC1C(=O)NC1CCCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide?
The InChIKey is KAKPDDGVVNEVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO2/c1-2-13-11(7-8-18-13)14(17)16-12-6-4-3-5-10(12)9-15/h10-13H,2-9H2,1H3,(H,16,17).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide?
N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide has a molecular weight of 318.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide is sourced from PubChem (CID 106367342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).