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

C12H22ClNO2 — CID 114307036

IUPACN-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCC1CCCCC1CCl
InChIInChI=1S/C12H22ClNO2/c1-2-16-9-12(15)14-8-11-6-4-3-5-10(11)7-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyFHFAXABPCYKSFX-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.18
Rot. Bonds6

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

N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide (PubChem CID 114307036) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide
PubChem CID114307036
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCC1CCCCC1CCl
InChIInChI=1S/C12H22ClNO2/c1-2-16-9-12(15)14-8-11-6-4-3-5-10(11)7-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyFHFAXABPCYKSFX-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.18
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-(chloromethyl)cyclopentyl]methyl]-2-propoxyacetamide
CID 107941206
N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
CID 114306626
N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide
CID 107941165
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941610
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide
CID 114307011
N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide
CID 113273844
N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide
CID 114306695
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 114306969
N-[[2-(chloromethyl)cyclohexyl]methyl]cycloheptanecarboxamide
CID 113273901
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(thian-4-yl)acetamide
CID 83135748
N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide
CID 64927440
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-(2-methoxyethoxy)acetamide
CID 114032046

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide?
The IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide (CID 114307036) is N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide is CCOCC(=O)NCC1CCCCC1CCl.
What is the InChIKey of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide?
The InChIKey is FHFAXABPCYKSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2/c1-2-16-9-12(15)14-8-11-6-4-3-5-10(11)7-13/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide?
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide has a molecular weight of 247.77 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethoxyacetamide is sourced from PubChem (CID 114307036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).