N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide

C14H26ClNO — CID 114307011

IUPACN-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC1CCCCC1CCl
InChIInChI=1S/C14H26ClNO/c1-3-11(4-2)14(17)16-10-13-8-6-5-7-12(13)9-15/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyFYTFTJARFIEMMI-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.58
Rot. Bonds6

About N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide

N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide (PubChem CID 114307011) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide
PubChem CID114307011
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC1CCCCC1CCl
InChIInChI=1S/C14H26ClNO/c1-3-11(4-2)14(17)16-10-13-8-6-5-7-12(13)9-15/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyFYTFTJARFIEMMI-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide
CID 114317113
N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide
CID 114312233
N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
CID 114306626
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-phenylbutanamide
CID 114306877
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 114306969
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide
CID 114307036
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide
CID 82986917
N-[[2-(chloromethyl)cyclohexyl]methyl]cycloheptanecarboxamide
CID 113273901
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113273913
N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide
CID 114306695
N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide
CID 113273844
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide
CID 107941206

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide (CID 114307011) is N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC1CCCCC1CCl.
What is the InChIKey of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide?
The InChIKey is FYTFTJARFIEMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-3-11(4-2)14(17)16-10-13-8-6-5-7-12(13)9-15/h11-13H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide?
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide has a molecular weight of 259.82 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 114307011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).