N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide

C14H26ClNO2 — CID 113272545

IUPACN-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(C)CC(CCl)NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H26ClNO2/c1-8(2)6-12(7-15)16-14(17)13-9(3)10(4)18-11(13)5/h8-13H,6-7H2,1-5H3,(H,16,17)
InChIKeyVVCITJWYGFKATC-UHFFFAOYSA-N
MW275.82 g/mol
LogP2.82
Rot. Bonds5

About N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide

N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 113272545) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID113272545
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(C)CC(CCl)NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H26ClNO2/c1-8(2)6-12(7-15)16-14(17)13-9(3)10(4)18-11(13)5/h8-13H,6-7H2,1-5H3,(H,16,17)
InChIKeyVVCITJWYGFKATC-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide (CID 113272545) is N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide is CC(C)CC(CCl)NC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is VVCITJWYGFKATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO2/c1-8(2)6-12(7-15)16-14(17)13-9(3)10(4)18-11(13)5/h8-13H,6-7H2,1-5H3,(H,16,17).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 275.82 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 113272545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).