N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide

C15H26ClNO2 — CID 113272704

IUPACN-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC2CCCCC2Cl)C1C
InChIInChI=1S/C15H26ClNO2/c1-9-10(2)19-11(3)14(9)15(18)17-8-12-6-4-5-7-13(12)16/h9-14H,4-8H2,1-3H3,(H,17,18)
InChIKeyXSFHUNKGIXUWKW-UHFFFAOYSA-N
MW287.83 g/mol
LogP2.96
Rot. Bonds3

About N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide

N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 113272704) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID113272704
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC2CCCCC2Cl)C1C
InChIInChI=1S/C15H26ClNO2/c1-9-10(2)19-11(3)14(9)15(18)17-8-12-6-4-5-7-13(12)16/h9-14H,4-8H2,1-3H3,(H,17,18)
InChIKeyXSFHUNKGIXUWKW-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160273
N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 114312352
N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 106127006
N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide
CID 114303020
N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide
CID 114301412
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
N-[(2-chlorocyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 114301649
N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 106365810
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160521
N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003247
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 102739129
N-[(2-chlorocyclohexyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 113272694

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide (CID 113272704) is N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCC2CCCCC2Cl)C1C.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is XSFHUNKGIXUWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO2/c1-9-10(2)19-11(3)14(9)15(18)17-8-12-6-4-5-7-13(12)16/h9-14H,4-8H2,1-3H3,(H,17,18).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 287.83 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 113272704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).