N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide

C14H26ClNO2 — CID 113273356

IUPACN-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCCC(CC)(CCl)NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H26ClNO2/c1-6-14(7-2,8-15)16-13(17)12-9(3)10(4)18-11(12)5/h9-12H,6-8H2,1-5H3,(H,16,17)
InChIKeyIQDJTCBPEJHDCA-UHFFFAOYSA-N
MW275.82 g/mol
LogP2.96
Rot. Bonds5

About N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide

N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 113273356) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID113273356
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC NameN-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCCC(CC)(CCl)NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H26ClNO2/c1-6-14(7-2,8-15)16-13(17)12-9(3)10(4)18-11(12)5/h9-12H,6-8H2,1-5H3,(H,16,17)
InChIKeyIQDJTCBPEJHDCA-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide (CID 113273356) is N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide is CCC(CC)(CCl)NC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is IQDJTCBPEJHDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO2/c1-6-14(7-2,8-15)16-13(17)12-9(3)10(4)18-11(12)5/h9-12H,6-8H2,1-5H3,(H,16,17).
What are the key properties of N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 275.82 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 113273356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).