N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide

C15H26ClNO2 — CID 106300473

IUPACN-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NC1(CCl)CCOCC1
InChIInChI=1S/C15H26ClNO2/c16-12-15(8-10-19-11-9-15)17-14(18)7-6-13-4-2-1-3-5-13/h13H,1-12H2,(H,17,18)
InChIKeyJCAGJNHXXBCIHU-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.25
Rot. Bonds5

About N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide

N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide (PubChem CID 106300473) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide
PubChem CID106300473
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)NC1(CCl)CCOCC1
InChIInChI=1S/C15H26ClNO2/c16-12-15(8-10-19-11-9-15)17-14(18)7-6-13-4-2-1-3-5-13/h13H,1-12H2,(H,17,18)
InChIKeyJCAGJNHXXBCIHU-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide
CID 114170594
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide
CID 114304094
N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
CID 114170539
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764878
3-cyclohexyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62519861
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517314
N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide
CID 114459153
N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide
CID 114459061
N-[4-(chloromethyl)oxan-4-yl]-2-methylsulfanylacetamide
CID 106300644
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
3-cyclohexyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 62527693
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
CID 103969470

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide (CID 106300473) is N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide?
The InChIKey is JCAGJNHXXBCIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO2/c16-12-15(8-10-19-11-9-15)17-14(18)7-6-13-4-2-1-3-5-13/h13H,1-12H2,(H,17,18).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide?
N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide has a molecular weight of 287.83 g/mol, XLogP of 3.25, 5 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]-3-cyclohexylpropanamide is sourced from PubChem (CID 106300473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).