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

C15H26ClNO2 — CID 114170539

IUPACN-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
SMILESO=C(NC1(CCl)CCOCC1)C1CCCCCCC1
InChIInChI=1S/C15H26ClNO2/c16-12-15(8-10-19-11-9-15)17-14(18)13-6-4-2-1-3-5-7-13/h13H,1-12H2,(H,17,18)
InChIKeyMQCCMVYIEPVTGK-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.25
Rot. Bonds3

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

N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide (PubChem CID 114170539) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
PubChem CID114170539
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
SMILESO=C(NC1(CCl)CCOCC1)C1CCCCCCC1
InChIInChI=1S/C15H26ClNO2/c16-12-15(8-10-19-11-9-15)17-14(18)13-6-4-2-1-3-5-7-13/h13H,1-12H2,(H,17,18)
InChIKeyMQCCMVYIEPVTGK-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.25
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-[1-(chloromethyl)-4-methylcyclohexyl]cycloheptanecarboxamide
CID 114304280
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106300635
N-[4-(chloromethyl)oxan-4-yl]thiolane-3-carboxamide
CID 106300810
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
CID 106300320
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide
CID 114170496
N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide
CID 106300473
N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide
CID 131115063
N-[1-(chloromethyl)-4-methylcyclohexyl]oxane-3-carboxamide
CID 113273232
N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
CID 115764905
N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide
CID 115878103
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 106298573
N-[4-(bromomethyl)oxan-4-yl]-4-methylcyclohexane-1-carboxamide
CID 114171042

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide (CID 114170539) is N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide is O=C(NC1(CCl)CCOCC1)C1CCCCCCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide?
The InChIKey is MQCCMVYIEPVTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO2/c16-12-15(8-10-19-11-9-15)17-14(18)13-6-4-2-1-3-5-7-13/h13H,1-12H2,(H,17,18).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide?
N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide has a molecular weight of 287.83 g/mol, XLogP of 3.25, 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]cyclooctanecarboxamide is sourced from PubChem (CID 114170539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).