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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 113272545
N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152322
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,4,5-trimethyloxolane-3-carboxamide
CID 114010844
N-[3-(chloromethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide
CID 113273356
(2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid
CID 65156844
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156517
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65160276
2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
CID 114167912
N-(2-amino-3-hydroxybutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65160350
N-(2-cyanopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156063
N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 114149321

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).