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

C14H26ClNO2 — CID 106300289

IUPACN-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C14H26ClNO2/c1-3-5-6-12(4-2)13(17)16-14(11-15)7-9-18-10-8-14/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyZQGMOYJBCYDDAW-UHFFFAOYSA-N
MW275.82 g/mol
LogP3.11
Rot. Bonds7

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

N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide (PubChem CID 106300289) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide
PubChem CID106300289
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C14H26ClNO2/c1-3-5-6-12(4-2)13(17)16-14(11-15)7-9-18-10-8-14/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyZQGMOYJBCYDDAW-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide (CID 106300289) is N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide is CCCCC(CC)C(=O)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide?
The InChIKey is ZQGMOYJBCYDDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO2/c1-3-5-6-12(4-2)13(17)16-14(11-15)7-9-18-10-8-14/h12H,3-11H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide?
N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide has a molecular weight of 275.82 g/mol, XLogP of 3.11, 7 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-ethylhexanamide is sourced from PubChem (CID 106300289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).