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

C14H24ClNO2 — CID 106127006

IUPACN-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC2CCC(Cl)C2)C1C
InChIInChI=1S/C14H24ClNO2/c1-8-9(2)18-10(3)13(8)14(17)16-7-11-4-5-12(15)6-11/h8-13H,4-7H2,1-3H3,(H,16,17)
InChIKeyTUCBMSZCPMYOLE-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.57
Rot. Bonds3

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

N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 106127006) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID106127006
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC2CCC(Cl)C2)C1C
InChIInChI=1S/C14H24ClNO2/c1-8-9(2)18-10(3)13(8)14(17)16-7-11-4-5-12(15)6-11/h8-13H,4-7H2,1-3H3,(H,16,17)
InChIKeyTUCBMSZCPMYOLE-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.57
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-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 113272704
N-[(3-chlorocyclopentyl)methyl]-5-methyloxolane-3-carboxamide
CID 106127038
N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160273
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 114312352
N-[(3-chlorocyclopentyl)methyl]butanamide
CID 106126960
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160521
2,4,5-trimethyl-N-[2-(propylamino)ethyl]oxolane-3-carboxamide
CID 65160186
N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152615
N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 114149321
N-[(3-chlorocyclohexyl)methyl]adamantane-2-carboxamide
CID 106131966
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 106140226

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide (CID 106127006) is N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCC2CCC(Cl)C2)C1C.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is TUCBMSZCPMYOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-8-9(2)18-10(3)13(8)14(17)16-7-11-4-5-12(15)6-11/h8-13H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 273.80 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 106127006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).