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

C13H24ClNO2 — CID 114305647

IUPACN-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(C)C(CCl)NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C13H24ClNO2/c1-7(2)11(6-14)15-13(16)12-8(3)9(4)17-10(12)5/h7-12H,6H2,1-5H3,(H,15,16)
InChIKeyYKSGCLSFEOUECQ-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.43
Rot. Bonds4

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

N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 114305647) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID114305647
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC(C)C(CCl)NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C13H24ClNO2/c1-7(2)11(6-14)15-13(16)12-8(3)9(4)17-10(12)5/h7-12H,6H2,1-5H3,(H,15,16)
InChIKeyYKSGCLSFEOUECQ-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.43
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-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide (CID 114305647) is N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide is CC(C)C(CCl)NC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is YKSGCLSFEOUECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2/c1-7(2)11(6-14)15-13(16)12-8(3)9(4)17-10(12)5/h7-12H,6H2,1-5H3,(H,15,16).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 261.79 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 114305647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).