N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide

C14H24ClNO2 — CID 106300270

IUPACN-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NC1(CCl)CCOCC1
InChIInChI=1S/C14H24ClNO2/c15-11-14(6-8-18-9-7-14)16-13(17)10-12-4-2-1-3-5-12/h12H,1-11H2,(H,16,17)
InChIKeyHHZHFBXMIHYLAB-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.86
Rot. Bonds4

About N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide

N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide (PubChem CID 106300270) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide
PubChem CID106300270
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NC1(CCl)CCOCC1
InChIInChI=1S/C14H24ClNO2/c15-11-14(6-8-18-9-7-14)16-13(17)10-12-4-2-1-3-5-12/h12H,1-11H2,(H,16,17)
InChIKeyHHZHFBXMIHYLAB-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide (CID 106300270) is N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide?
The InChIKey is HHZHFBXMIHYLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c15-11-14(6-8-18-9-7-14)16-13(17)10-12-4-2-1-3-5-12/h12H,1-11H2,(H,16,17).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide?
N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide has a molecular weight of 273.80 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 106300270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).