N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide

C11H18ClNO2 — CID 106300311

IUPACN-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1(CCl)CCOCC1)C1CCC1
InChIInChI=1S/C11H18ClNO2/c12-8-11(4-6-15-7-5-11)13-10(14)9-2-1-3-9/h9H,1-8H2,(H,13,14)
InChIKeyCEEDVDCOQFIEFS-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.69
Rot. Bonds3

About N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide

N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide (PubChem CID 106300311) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide
PubChem CID106300311
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1(CCl)CCOCC1)C1CCC1
InChIInChI=1S/C11H18ClNO2/c12-8-11(4-6-15-7-5-11)13-10(14)9-2-1-3-9/h9H,1-8H2,(H,13,14)
InChIKeyCEEDVDCOQFIEFS-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.69
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]cyclobutanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-tert-butyl-2-chloro-2-(oxan-4-yl)acetamide
CID 62385588
N-(1-chloro-3-methylpentan-3-yl)oxane-3-carboxamide
CID 106168008
N-(1-chloro-3-methylpentan-3-yl)oxane-4-carboxamide
CID 106168493
N-[4-(chloromethyl)oxan-4-yl]-2-cyclohexylacetamide
CID 106300270
N-[4-(chloromethyl)oxan-4-yl]-2-ethylhexanamide
CID 106300289
N-[4-(chloromethyl)oxan-4-yl]oxane-3-carboxamide
CID 106300293
N-[4-(chloromethyl)oxan-4-yl]-2-cyclopropylpropanamide
CID 106300294
N-[4-(chloromethyl)oxan-4-yl]butanamide
CID 106300310
N-[4-(chloromethyl)oxan-4-yl]cyclopentanecarboxamide
CID 106300312
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
CID 106300320
N-[4-(chloromethyl)oxan-4-yl]decanamide
CID 106300335
N-[4-(chloromethyl)oxan-4-yl]-3,4,4-trimethylpentanamide
CID 106300366

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide (CID 106300311) is N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide is O=C(NC1(CCl)CCOCC1)C1CCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide?
The InChIKey is CEEDVDCOQFIEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c12-8-11(4-6-15-7-5-11)13-10(14)9-2-1-3-9/h9H,1-8H2,(H,13,14).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide?
N-[4-(chloromethyl)oxan-4-yl]cyclobutanecarboxamide has a molecular weight of 231.72 g/mol, XLogP of 1.69, 3 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]cyclobutanecarboxamide is sourced from PubChem (CID 106300311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).